2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide

C15H26N2O — CID 64733504

IUPAC2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,10-16)14(18)17-13-8-11(3)7-12(4)9-13/h11-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyFONNJBUVUQTMAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.26
Rot. Bonds4

About 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide

2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide (PubChem CID 64733504) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide
PubChem CID64733504
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H26N2O/c1-5-15(6-2,10-16)14(18)17-13-8-11(3)7-12(4)9-13/h11-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyFONNJBUVUQTMAO-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide (CID 64733504) is 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide?
The InChIKey is FONNJBUVUQTMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(6-2,10-16)14(18)17-13-8-11(3)7-12(4)9-13/h11-13H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide?
2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide has a molecular weight of 250.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide is sourced from PubChem (CID 64733504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).