4-methoxy-2-(phenacylamino)benzoic acid

C16H15NO4 — CID 595749

IUPAC4-methoxy-2-(phenacylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-21-12-7-8-13(16(19)20)14(9-12)17-10-15(18)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,19,20)
InChIKeySZQUZUGUORARON-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.69
Rot. Bonds6

About 4-methoxy-2-(phenacylamino)benzoic acid

4-methoxy-2-(phenacylamino)benzoic acid (PubChem CID 595749) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-methoxy-2-(phenacylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(phenacylamino)benzoic acid
PubChem CID595749
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-methoxy-2-(phenacylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-21-12-7-8-13(16(19)20)14(9-12)17-10-15(18)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,19,20)
InChIKeySZQUZUGUORARON-UHFFFAOYSA-N
XLogP2.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-(phenacylamino)benzoic 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

4-methoxy-2-(methylamino)benzoic acid
CID 70479848
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
CID 94271266
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
2-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxybenzoic acid
CID 81309534
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
2-(3-ethoxypropylamino)-4-methoxybenzoic acid
CID 81305278
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
4-methoxy-2-(3-propoxypropylamino)benzoic acid
CID 82947075
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(phenacylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(phenacylamino)benzoic acid (CID 595749) is 4-methoxy-2-(phenacylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(phenacylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(phenacylamino)benzoic acid is COc1ccc(C(=O)O)c(NCC(=O)c2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-(phenacylamino)benzoic acid?
The InChIKey is SZQUZUGUORARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-12-7-8-13(16(19)20)14(9-12)17-10-15(18)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,19,20).
What are the key properties of 4-methoxy-2-(phenacylamino)benzoic acid?
4-methoxy-2-(phenacylamino)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(phenacylamino)benzoic acid is sourced from PubChem (CID 595749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).