4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide

C16H18N2O2 — CID 106953737

IUPAC4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2)c(C)cc1O
InChIInChI=1S/C16H18N2O2/c1-10-8-15(19)11(2)7-14(10)18-9-12-3-5-13(6-4-12)16(17)20/h3-8,18-19H,9H2,1-2H3,(H2,17,20)
InChIKeyBQOLEVAMJZFQNB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds4

About 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide

4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide (PubChem CID 106953737) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
PubChem CID106953737
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2)c(C)cc1O
InChIInChI=1S/C16H18N2O2/c1-10-8-15(19)11(2)7-14(10)18-9-12-3-5-13(6-4-12)16(17)20/h3-8,18-19H,9H2,1-2H3,(H2,17,20)
InChIKeyBQOLEVAMJZFQNB-UHFFFAOYSA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide 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-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-(furan-3-ylmethylamino)-2,5-dimethylphenol
CID 106954030
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(2-ethylanilino)methyl]benzamide
CID 28583374
4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylphenol
CID 106953607
4-[(4-carboxyphenyl)methylamino]-3-methylbenzoic acid
CID 65348016
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide?
The IUPAC name of 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide (CID 106953737) is 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide?
The canonical SMILES for 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide is Cc1cc(NCc2ccc(C(N)=O)cc2)c(C)cc1O.
What is the InChIKey of 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide?
The InChIKey is BQOLEVAMJZFQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-8-15(19)11(2)7-14(10)18-9-12-3-5-13(6-4-12)16(17)20/h3-8,18-19H,9H2,1-2H3,(H2,17,20).
What are the key properties of 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide?
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide is sourced from PubChem (CID 106953737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).