4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide

C14H21NO3 — CID 106155019

IUPAC4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-11(9-16)3-2-8-15-14(18)13-6-4-12(10-17)5-7-13/h4-7,11,16-17H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyDPIAUYZSPAIOIZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.32
Rot. Bonds7

About 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide

4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide (PubChem CID 106155019) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
PubChem CID106155019
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-11(9-16)3-2-8-15-14(18)13-6-4-12(10-17)5-7-13/h4-7,11,16-17H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyDPIAUYZSPAIOIZ-UHFFFAOYSA-N
XLogP1.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)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-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide (CID 106155019) is 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide is CC(CO)CCCNC(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide?
The InChIKey is DPIAUYZSPAIOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(9-16)3-2-8-15-14(18)13-6-4-12(10-17)5-7-13/h4-7,11,16-17H,2-3,8-10H2,1H3,(H,15,18).
What are the key properties of 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide?
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 106155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).