4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide

C13H25NO3 — CID 79191808

IUPAC4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
SMILESCC(O)CCC(=O)NCC1CCCCC1CO
InChIInChI=1S/C13H25NO3/c1-10(16)6-7-13(17)14-8-11-4-2-3-5-12(11)9-15/h10-12,15-16H,2-9H2,1H3,(H,14,17)
InChIKeyOUAMWYKBTUDMOG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.06
Rot. Bonds6

About 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide

4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide (PubChem CID 79191808) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
PubChem CID79191808
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
SMILESCC(O)CCC(=O)NCC1CCCCC1CO
InChIInChI=1S/C13H25NO3/c1-10(16)6-7-13(17)14-8-11-4-2-3-5-12(11)9-15/h10-12,15-16H,2-9H2,1H3,(H,14,17)
InChIKeyOUAMWYKBTUDMOG-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide 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

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114875423
4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 81080200
N-[[2-(hydroxymethyl)cyclohexyl]methyl]but-2-enamide
CID 77104592
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603195
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 79192566
4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79356434
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 79854939

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide (CID 79191808) is 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide is CC(O)CCC(=O)NCC1CCCCC1CO.
What is the InChIKey of 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The InChIKey is OUAMWYKBTUDMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(16)6-7-13(17)14-8-11-4-2-3-5-12(11)9-15/h10-12,15-16H,2-9H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide is sourced from PubChem (CID 79191808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).