5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide

C13H25NO2 — CID 79208918

IUPAC5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
SMILESCC1CCC(CNC(=O)CCCCO)CC1
InChIInChI=1S/C13H25NO2/c1-11-5-7-12(8-6-11)10-14-13(16)4-2-3-9-15/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyDBBYLCBZVIXURV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds6

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

5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide (PubChem CID 79208918) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
PubChem CID79208918
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
SMILESCC1CCC(CNC(=O)CCCCO)CC1
InChIInChI=1S/C13H25NO2/c1-11-5-7-12(8-6-11)10-14-13(16)4-2-3-9-15/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyDBBYLCBZVIXURV-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
CID 79209594
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide (CID 79208918) is 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide is CC1CCC(CNC(=O)CCCCO)CC1.
What is the InChIKey of 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide?
The InChIKey is DBBYLCBZVIXURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-5-7-12(8-6-11)10-14-13(16)4-2-3-9-15/h11-12,15H,2-10H2,1H3,(H,14,16).
What are the key properties of 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide?
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide is sourced from PubChem (CID 79208918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).