3-acetamido-2-benzyl-4-hydroxybenzoic acid

C16H15NO4 — CID 146409348

IUPAC3-acetamido-2-benzyl-4-hydroxybenzoic acid
SMILESCC(=O)Nc1c(O)ccc(C(=O)O)c1Cc1ccccc1
InChIInChI=1S/C16H15NO4/c1-10(18)17-15-13(9-11-5-3-2-4-6-11)12(16(20)21)7-8-14(15)19/h2-8,19H,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyQXEKQOFQSKPYCG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.64
Rot. Bonds4

About 3-acetamido-2-benzyl-4-hydroxybenzoic acid

3-acetamido-2-benzyl-4-hydroxybenzoic acid (PubChem CID 146409348) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-acetamido-2-benzyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-acetamido-2-benzyl-4-hydroxybenzoic acid
PubChem CID146409348
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-acetamido-2-benzyl-4-hydroxybenzoic acid
SMILESCC(=O)Nc1c(O)ccc(C(=O)O)c1Cc1ccccc1
InChIInChI=1S/C16H15NO4/c1-10(18)17-15-13(9-11-5-3-2-4-6-11)12(16(20)21)7-8-14(15)19/h2-8,19H,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyQXEKQOFQSKPYCG-UHFFFAOYSA-N
XLogP2.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-acetamido-2-benzyl-4-hydroxybenzoic 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

2-acetamido-3-benzyl-4-hydroxybenzoic acid
CID 146409350
2-benzyl-3,4-dihydroxybenzoic acid
CID 22593474
2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
CID 70452171
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
3-benzyl-2-hydroxy-4-methylbenzoic acid
CID 122423561
2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
2-benzyl-1,3-dichlorobenzene;bromobenzene;N-(2,6-dichlorophenyl)acetamide;methane
CID 160641235
2-benzyl-3-methyl-4-nitrobenzoic acid
CID 22321881
3-[3-carboxy-6-hydroxy-2-(2-phenylethyl)phenyl]sulfanyl-4-hydroxy-2-(2-phenylethyl)benzoic acid
CID 70358740
6-carboxy-3-hydroxy-2-methylphenolate;ethylbenzene
CID 54693465
3-benzyl-4-dodecyl-2-hydroxybenzoic acid
CID 175045480
3-[3-carboxy-6-hydroxy-2-(4-phenylbutyl)phenyl]sulfonyl-4-hydroxy-2-(4-phenylbutyl)benzoic acid
CID 70358904

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-benzyl-4-hydroxybenzoic acid?
The IUPAC name of 3-acetamido-2-benzyl-4-hydroxybenzoic acid (CID 146409348) is 3-acetamido-2-benzyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3-acetamido-2-benzyl-4-hydroxybenzoic acid?
The canonical SMILES for 3-acetamido-2-benzyl-4-hydroxybenzoic acid is CC(=O)Nc1c(O)ccc(C(=O)O)c1Cc1ccccc1.
What is the InChIKey of 3-acetamido-2-benzyl-4-hydroxybenzoic acid?
The InChIKey is QXEKQOFQSKPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10(18)17-15-13(9-11-5-3-2-4-6-11)12(16(20)21)7-8-14(15)19/h2-8,19H,9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 3-acetamido-2-benzyl-4-hydroxybenzoic acid?
3-acetamido-2-benzyl-4-hydroxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-benzyl-4-hydroxybenzoic acid is sourced from PubChem (CID 146409348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).