3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid

C18H19NO5 — CID 45461179

IUPAC3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO5/c1-23-13-8-9-14(16(10-13)24-2)18(22)19-15(11-17(20)21)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYFDIQLFDRSZRMY-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.65
Rot. Bonds7

About 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid

3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 45461179) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
PubChem CID45461179
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO5/c1-23-13-8-9-14(16(10-13)24-2)18(22)19-15(11-17(20)21)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYFDIQLFDRSZRMY-UHFFFAOYSA-N
XLogP2.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350859
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 7343428
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 55903055
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid (CID 45461179) is 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid is COc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is YFDIQLFDRSZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-13-8-9-14(16(10-13)24-2)18(22)19-15(11-17(20)21)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid?
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 329.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 45461179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).