ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide

C13H27NO2 — CID 143533014

IUPACethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCC.CCN(C)C(=O)C1CCC(OC)CC1
InChIInChI=1S/C11H21NO2.C2H6/c1-4-12(2)11(13)9-5-7-10(14-3)8-6-9;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyYWXDVIHCDTYFDD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.70
Rot. Bonds3

About ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide

ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 143533014) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID143533014
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCC.CCN(C)C(=O)C1CCC(OC)CC1
InChIInChI=1S/C11H21NO2.C2H6/c1-4-12(2)11(13)9-5-7-10(14-3)8-6-9;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyYWXDVIHCDTYFDD-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;N-ethyl-4-methoxy-N-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 ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide (CID 143533014) is ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide is CC.CCN(C)C(=O)C1CCC(OC)CC1.
What is the InChIKey of ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is YWXDVIHCDTYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C2H6/c1-4-12(2)11(13)9-5-7-10(14-3)8-6-9;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide?
ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 229.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 143533014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).