N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide

C13H25NO2 — CID 106122083

IUPACN-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)3-8-13(16)14-9-11-4-6-12(15)7-5-11/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyFCRFAWHTHTZKHQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide

N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide (PubChem CID 106122083) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
PubChem CID106122083
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)3-8-13(16)14-9-11-4-6-12(15)7-5-11/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyFCRFAWHTHTZKHQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide (CID 106122083) is N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide is CC(C)CCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
The InChIKey is FCRFAWHTHTZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)3-8-13(16)14-9-11-4-6-12(15)7-5-11/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide?
N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 106122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).