4-hydroxy-2-methyl-N-octan-2-ylbenzamide

C16H25NO2 — CID 103865158

IUPAC4-hydroxy-2-methyl-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C16H25NO2/c1-4-5-6-7-8-13(3)17-16(19)15-10-9-14(18)11-12(15)2/h9-11,13,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyPQNCQDOQLFQRSA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.79
Rot. Bonds7

About 4-hydroxy-2-methyl-N-octan-2-ylbenzamide

4-hydroxy-2-methyl-N-octan-2-ylbenzamide (PubChem CID 103865158) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-octan-2-ylbenzamide
PubChem CID103865158
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-hydroxy-2-methyl-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C16H25NO2/c1-4-5-6-7-8-13(3)17-16(19)15-10-9-14(18)11-12(15)2/h9-11,13,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyPQNCQDOQLFQRSA-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2-methyl-N-octan-2-ylbenzamide 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-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
1-(4-hydroxyphenyl)-3-octatriacontan-2-ylurea
CID 70999279
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-octan-2-ylbenzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-octan-2-ylbenzamide (CID 103865158) is 4-hydroxy-2-methyl-N-octan-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-octan-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1ccc(O)cc1C.
What is the InChIKey of 4-hydroxy-2-methyl-N-octan-2-ylbenzamide?
The InChIKey is PQNCQDOQLFQRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-6-7-8-13(3)17-16(19)15-10-9-14(18)11-12(15)2/h9-11,13,18H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 4-hydroxy-2-methyl-N-octan-2-ylbenzamide?
4-hydroxy-2-methyl-N-octan-2-ylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-octan-2-ylbenzamide is sourced from PubChem (CID 103865158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).