N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide

C13H25NO3 — CID 71989605

IUPACN-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-17-10-6-3-7-12(15)14-11-13(16)8-4-2-5-9-13/h16H,2-11H2,1H3,(H,14,15)
InChIKeyKXWIJLFVGRPPQB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds7

About N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide

N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide (PubChem CID 71989605) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide
PubChem CID71989605
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide
SMILESCOCCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-17-10-6-3-7-12(15)14-11-13(16)8-4-2-5-9-13/h16H,2-11H2,1H3,(H,14,15)
InChIKeyKXWIJLFVGRPPQB-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide 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-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide (CID 71989605) is N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide is COCCCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
The InChIKey is KXWIJLFVGRPPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-17-10-6-3-7-12(15)14-11-13(16)8-4-2-5-9-13/h16H,2-11H2,1H3,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide?
N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide is sourced from PubChem (CID 71989605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).