4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid

C16H15NO4 — CID 18070473

IUPAC4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H15NO4/c1-11-7-8-12(16(19)20)9-14(11)17-15(18)10-21-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLCDDQSMAOLRMFL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.71
Rot. Bonds5

About 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid

4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid (PubChem CID 18070473) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
PubChem CID18070473
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H15NO4/c1-11-7-8-12(16(19)20)9-14(11)17-15(18)10-21-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLCDDQSMAOLRMFL-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 41177576
3-[[2-(4-formylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 39164319
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid?
The IUPAC name of 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid (CID 18070473) is 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1.
What is the InChIKey of 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid?
The InChIKey is LCDDQSMAOLRMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-7-8-12(16(19)20)9-14(11)17-15(18)10-21-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid?
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 18070473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).