2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide

C15H26N2O — CID 55068978

IUPAC2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-4-15(5-2,11-16)14(18)17-12(3)13-9-7-6-8-10-13/h12-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyJHVQHFFVLGQVTF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.40
Rot. Bonds5

About 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide

2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide (PubChem CID 55068978) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
PubChem CID55068978
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-4-15(5-2,11-16)14(18)17-12(3)13-9-7-6-8-10-13/h12-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyJHVQHFFVLGQVTF-UHFFFAOYSA-N
XLogP3.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(1-cyclohexylethyl)-2-propylpentanamide
CID 62405447
2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114115162
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
CID 115426905
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide
CID 79249849
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
CID 103029230
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
N-[(1R)-1-cyclopentylethyl]-2-methoxy-2-methylpropanamide
CID 103029233
N-(1-cyclohexylethyl)prop-2-enamide
CID 541857
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide (CID 55068978) is 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NC(C)C1CCCCC1.
What is the InChIKey of 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide?
The InChIKey is JHVQHFFVLGQVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-15(5-2,11-16)14(18)17-12(3)13-9-7-6-8-10-13/h12-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide?
2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide has a molecular weight of 250.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide is sourced from PubChem (CID 55068978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).