1,2-diethyl-N-methylcyclohexane-1-carboxamide

C12H23NO — CID 20565385

IUPAC1,2-diethyl-N-methylcyclohexane-1-carboxamide
SMILESCCC1CCCCC1(CC)C(=O)NC
InChIInChI=1S/C12H23NO/c1-4-10-8-6-7-9-12(10,5-2)11(14)13-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyTYBMVIYXUHPQFP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds3

About 1,2-diethyl-N-methylcyclohexane-1-carboxamide

1,2-diethyl-N-methylcyclohexane-1-carboxamide (PubChem CID 20565385) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1,2-diethyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2-diethyl-N-methylcyclohexane-1-carboxamide
PubChem CID20565385
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1,2-diethyl-N-methylcyclohexane-1-carboxamide
SMILESCCC1CCCCC1(CC)C(=O)NC
InChIInChI=1S/C12H23NO/c1-4-10-8-6-7-9-12(10,5-2)11(14)13-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyTYBMVIYXUHPQFP-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1,2-diethyl-N-methylcyclohexane-1-carboxamide (CID 20565385) is 1,2-diethyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2-diethyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2-diethyl-N-methylcyclohexane-1-carboxamide is CCC1CCCCC1(CC)C(=O)NC.
What is the InChIKey of 1,2-diethyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is TYBMVIYXUHPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10-8-6-7-9-12(10,5-2)11(14)13-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 1,2-diethyl-N-methylcyclohexane-1-carboxamide?
1,2-diethyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 20565385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).