N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide

C17H25NO2 — CID 111477096

IUPACN-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)N(CCO)Cc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-14-6-5-9-16(12-14)17(20)18(10-11-19)13-15-7-3-2-4-8-15/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3
InChIKeyUKVSYPNFDVWCCZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide

N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 111477096) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
PubChem CID111477096
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)N(CCO)Cc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-14-6-5-9-16(12-14)17(20)18(10-11-19)13-15-7-3-2-4-8-15/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3
InChIKeyUKVSYPNFDVWCCZ-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-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-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide (CID 111477096) is N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(C(=O)N(CCO)Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is UKVSYPNFDVWCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-6-5-9-16(12-14)17(20)18(10-11-19)13-15-7-3-2-4-8-15/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 111477096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).