N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide

C12H21NO2 — CID 134349191

IUPACN-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide
SMILESCCC1OC1C(=O)NCC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-10-11(15-10)12(14)13-8-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyUTGXVVDJGWARQB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds4

About N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide

N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide (PubChem CID 134349191) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide
PubChem CID134349191
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide
SMILESCCC1OC1C(=O)NCC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-10-11(15-10)12(14)13-8-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyUTGXVVDJGWARQB-UHFFFAOYSA-N
XLogP1.86
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(cyclohexylmethyl)-3-ethyloxirane-2-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-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide (CID 134349191) is N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide is CCC1OC1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide?
The InChIKey is UTGXVVDJGWARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-10-11(15-10)12(14)13-8-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide?
N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-ethyloxirane-2-carboxamide is sourced from PubChem (CID 134349191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).