5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide

C13H25NO3 — CID 79198654

IUPAC5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
SMILESCC1CCC(CO)(NC(=O)CCCCO)CC1
InChIInChI=1S/C13H25NO3/c1-11-5-7-13(10-16,8-6-11)14-12(17)4-2-3-9-15/h11,15-16H,2-10H2,1H3,(H,14,17)
InChIKeyBCHJMLKLVIJIGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.21
Rot. Bonds6

About 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide

5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide (PubChem CID 79198654) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
PubChem CID79198654
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
SMILESCC1CCC(CO)(NC(=O)CCCCO)CC1
InChIInChI=1S/C13H25NO3/c1-11-5-7-13(10-16,8-6-11)14-12(17)4-2-3-9-15/h11,15-16H,2-10H2,1H3,(H,14,17)
InChIKeyBCHJMLKLVIJIGW-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110
N-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62552996
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135926
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide (CID 79198654) is 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide is CC1CCC(CO)(NC(=O)CCCCO)CC1.
What is the InChIKey of 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide?
The InChIKey is BCHJMLKLVIJIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11-5-7-13(10-16,8-6-11)14-12(17)4-2-3-9-15/h11,15-16H,2-10H2,1H3,(H,14,17).
What are the key properties of 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide?
5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide is sourced from PubChem (CID 79198654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).