3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid

C18H19NO4 — CID 3369154

IUPAC3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO4/c1-12-4-3-5-14(10-12)18(22)19-16(11-17(20)21)13-6-8-15(23-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBBBCREXMBKFVEP-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.95
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid

3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid (PubChem CID 3369154) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
PubChem CID3369154
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO4/c1-12-4-3-5-14(10-12)18(22)19-16(11-17(20)21)13-6-8-15(23-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBBBCREXMBKFVEP-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
3-[(3-cyanobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 154775247
(3S)-3-(4-methoxyphenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid
CID 709739
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432205
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 6925782
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid (CID 3369154) is 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid?
The InChIKey is BBBCREXMBKFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-4-3-5-14(10-12)18(22)19-16(11-17(20)21)13-6-8-15(23-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid?
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 3369154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).