2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid

C16H15NO4 — CID 66728197

IUPAC2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid
SMILESCc1ccc(NCC(=O)c2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-10-7-8-12(15(19)14(10)16(20)21)17-9-13(18)11-5-3-2-4-6-11/h2-8,17,19H,9H2,1H3,(H,20,21)
InChIKeyFOUUTSQTXQVORF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.69
Rot. Bonds5

About 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid

2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid (PubChem CID 66728197) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid
PubChem CID66728197
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid
SMILESCc1ccc(NCC(=O)c2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-10-7-8-12(15(19)14(10)16(20)21)17-9-13(18)11-5-3-2-4-6-11/h2-8,17,19H,9H2,1H3,(H,20,21)
InChIKeyFOUUTSQTXQVORF-UHFFFAOYSA-N
XLogP2.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone
CID 67924375
2-(4-methylanilino)-1-phenylethanone
CID 4230722
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945
N-[(4-carbamimidoylphenyl)methyl]-2-[2-hydroxy-6-methyl-3-(phenacylamino)phenyl]acetamide;hydrochloride
CID 45263329
2-(2-ethyl-6-methylanilino)-1-phenylethanone
CID 94270514
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
CID 94271266
3-(phenacylamino)-1H-1,2,4-triazole-5-carboxylic acid
CID 139227717
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
CID 82482003
3-chloro-4-methyl-N-phenacylbenzamide
CID 64991400

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid?
The IUPAC name of 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid (CID 66728197) is 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid is Cc1ccc(NCC(=O)c2ccccc2)c(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid?
The InChIKey is FOUUTSQTXQVORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-7-8-12(15(19)14(10)16(20)21)17-9-13(18)11-5-3-2-4-6-11/h2-8,17,19H,9H2,1H3,(H,20,21).
What are the key properties of 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid?
2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid is sourced from PubChem (CID 66728197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).