N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide

C21H39NO3 — CID 156820555

IUPACN-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide
SMILESCC(C)COCC1CCC(C(=O)NCCCCCC(=O)C(C)C)CC1
InChIInChI=1S/C21H39NO3/c1-16(2)14-25-15-18-9-11-19(12-10-18)21(24)22-13-7-5-6-8-20(23)17(3)4/h16-19H,5-15H2,1-4H3,(H,22,24)
InChIKeyRVGKVOOHYPGNTI-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.37
Rot. Bonds12

About N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide

N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide (PubChem CID 156820555) has the molecular formula C21H39NO3 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide
PubChem CID156820555
Molecular FormulaC21H39NO3
Molecular Weight353.55 g/mol
Exact Mass353.29
IUPAC NameN-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide
SMILESCC(C)COCC1CCC(C(=O)NCCCCCC(=O)C(C)C)CC1
InChIInChI=1S/C21H39NO3/c1-16(2)14-25-15-18-9-11-19(12-10-18)21(24)22-13-7-5-6-8-20(23)17(3)4/h16-19H,5-15H2,1-4H3,(H,22,24)
InChIKeyRVGKVOOHYPGNTI-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide 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-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide (CID 156820555) is N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide is CC(C)COCC1CCC(C(=O)NCCCCCC(=O)C(C)C)CC1.
What is the InChIKey of N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide?
The InChIKey is RVGKVOOHYPGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO3/c1-16(2)14-25-15-18-9-11-19(12-10-18)21(24)22-13-7-5-6-8-20(23)17(3)4/h16-19H,5-15H2,1-4H3,(H,22,24).
What are the key properties of N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide?
N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide has a molecular weight of 353.55 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-6-oxooctyl)-4-(2-methylpropoxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 156820555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).