2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide

C15H26N2O — CID 113270371

IUPAC2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C15H26N2O/c1-4-15(3,11-16)14(18)17-9-8-13-7-5-6-12(2)10-13/h12-13H,4-10H2,1-3H3,(H,17,18)
InChIKeySZGSDNIHABWDCD-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.26
Rot. Bonds5

About 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide

2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide (PubChem CID 113270371) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
PubChem CID113270371
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C15H26N2O/c1-4-15(3,11-16)14(18)17-9-8-13-7-5-6-12(2)10-13/h12-13H,4-10H2,1-3H3,(H,17,18)
InChIKeySZGSDNIHABWDCD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 77022861
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]prop-2-ynamide
CID 130918142
2-(tert-butylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide
CID 78966290
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
CID 95628739
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide
CID 114291545
2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
CID 106709352

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide (CID 113270371) is 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide is CCC(C)(C#N)C(=O)NCCC1CCCC(C)C1.
What is the InChIKey of 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide?
The InChIKey is SZGSDNIHABWDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-15(3,11-16)14(18)17-9-8-13-7-5-6-12(2)10-13/h12-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide?
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide has a molecular weight of 250.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide is sourced from PubChem (CID 113270371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).