Name: Name:2-PyrrolidinecarboxaMide, N-[[4-[(4,4-diMethylcyclohexyl)oxy]-5-fluoro-2-Methoxyphenyl]Methyl]-, (2S)-
Brand: Angene
SKU: AG001776
Rating: 90 (10 reviews)

2-PyrrolidinecarboxaMide, N-[[4-[(4,4-diMethylcyclohexyl)oxy]-5-fluoro-2-Methoxyphenyl]Methyl]-, (2S)-

CAS No.:

1224048-09-2

Catalog Number:

AG001776

Molecular Formula:

C21H31FN2O3

Molecular Weight:

378.4808

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Product Description

Catalog Number:

AG001776

Chemical Name:

2-PyrrolidinecarboxaMide, N-[[4-[(4,4-diMethylcyclohexyl)oxy]-5-fluoro-2-Methoxyphenyl]Methyl]-, (2S)-

CAS Number:

1224048-09-2

Molecular Formula:

C21H31FN2O3

Molecular Weight:

378.4808

MDL Number:

MFCD25542387

IUPAC Name:

(2S)-N-[[4-(4,4-dimethylcyclohexyl)oxy-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

InChI:

InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1

InChI Key:

FGJOAGVKQWXJAD-KRWDZBQOSA-N

SMILES:

COc1cc(OC2CCC(CC2)(C)C)c(cc1CNC(=O)[C@@H]1CCCN1)F

Properties

Complexity:

492

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

378.232g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

378.488g/mol

Monoisotopic Mass:

378.232g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity.	Bioorganic & medicinal chemistry letters 20100401