4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid

C16H15NO4 — CID 62003468

IUPAC4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
SMILESCOc1cccc(N(C)C(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-17(13-4-3-5-14(10-13)21-2)15(18)11-6-8-12(9-7-11)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKeyLTGKEPPBARONJD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.67
Rot. Bonds4

About 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid

4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid (PubChem CID 62003468) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
PubChem CID62003468
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
SMILESCOc1cccc(N(C)C(=O)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-17(13-4-3-5-14(10-13)21-2)15(18)11-6-8-12(9-7-11)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKeyLTGKEPPBARONJD-UHFFFAOYSA-N
XLogP2.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 100785370
N-(3-methoxyphenyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62180536
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid?
The IUPAC name of 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid (CID 62003468) is 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid is COc1cccc(N(C)C(=O)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid?
The InChIKey is LTGKEPPBARONJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(13-4-3-5-14(10-13)21-2)15(18)11-6-8-12(9-7-11)16(19)20/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid?
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 62003468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).