3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid

C19H21NO5 — CID 45432205

IUPAC3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
SMILESCOc1cc(OC)cc(C(=O)NC(CC(=O)O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO5/c1-12-4-6-13(7-5-12)17(11-18(21)22)20-19(23)14-8-15(24-2)10-16(9-14)25-3/h4-10,17H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBZQMWGLHAZQXSF-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.96
Rot. Bonds7

About 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid

3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid (PubChem CID 45432205) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
PubChem CID45432205
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
SMILESCOc1cc(OC)cc(C(=O)NC(CC(=O)O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO5/c1-12-4-6-13(7-5-12)17(11-18(21)22)20-19(23)14-8-15(24-2)10-16(9-14)25-3/h4-10,17H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBZQMWGLHAZQXSF-UHFFFAOYSA-N
XLogP2.96
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(3S)-3-[(4-methylbenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044731
3-[(3-cyanobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 154775247
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828
3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 45342248

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid (CID 45432205) is 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid is COc1cc(OC)cc(C(=O)NC(CC(=O)O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid?
The InChIKey is BZQMWGLHAZQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-4-6-13(7-5-12)17(11-18(21)22)20-19(23)14-8-15(24-2)10-16(9-14)25-3/h4-10,17H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid?
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 45432205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).