Name: Name:[(1-phenylethyl)carbamoyl]methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Brand: Angene
SKU: AG01EM3M
Rating: 90 (10 reviews)

[(1-phenylethyl)carbamoyl]methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

CAS No.:

729574-89-4

Catalog Number:

AG01EM3M

Molecular Formula:

C22H25NO6

Molecular Weight:

399.4370

Catalog Number:

AG01EM3M

Chemical Name:

[(1-phenylethyl)carbamoyl]methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

CAS Number:

729574-89-4

Molecular Formula:

C22H25NO6

Molecular Weight:

399.4370

MDL Number:

MFCD03969860

IUPAC Name:

[2-oxo-2-(1-phenylethylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

InChI:

InChI=1S/C22H25NO6/c1-15(17-8-6-5-7-9-17)23-20(24)14-29-21(25)11-10-16-12-18(26-2)22(28-4)19(13-16)27-3/h5-13,15H,14H2,1-4H3,(H,23,24)

InChI Key:

ITLVAKHTOVQVSL-UHFFFAOYSA-N

SMILES:

COc1cc(/C=C/C(=O)OCC(=O)NC(c2ccccc2)C)cc(c1OC)OC

Complexity:

531

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.443g/mol

Monoisotopic Mass:

399.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4