Name: Name:Benzenebutanamide, γ-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methyl-γ-(1-methylethyl)-, (γS)-
Brand: Angene
SKU: AG0029MM
Rating: 90 (10 reviews)

Benzenebutanamide, γ-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methyl-γ-(1-methylethyl)-, (γS)-

CAS No.:

204642-98-8

Catalog Number:

AG0029MM

Molecular Formula:

C27H36N2O5

Molecular Weight:

468.5851

Catalog Number:

AG0029MM

Chemical Name:

Benzenebutanamide, γ-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methyl-γ-(1-methylethyl)-, (γS)-

CAS Number:

204642-98-8

Molecular Formula:

C27H36N2O5

Molecular Weight:

468.5851

MDL Number:

MFCD18252439

IUPAC Name:

(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexanamide

InChI:

InChI=1S/C27H36N2O5/c1-19(2)27(18-28,21-9-11-23(32-5)25(17-21)34-7)14-12-26(30)29(3)15-13-20-8-10-22(31-4)24(16-20)33-6/h8-11,16-17,19H,12-15H2,1-7H3/t27-/m0/s1

InChI Key:

XUFOEFUGSOMTFC-MHZLTWQESA-N

SMILES:

COc1ccc(cc1OC)CCN(C(=O)CC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C

Complexity:

677

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

468.262g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

468.594g/mol

Monoisotopic Mass:

468.262g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8