2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide

C16H22N2O — CID 115188479

IUPAC2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide
SMILESCCC(C#N)C(=O)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H22N2O/c1-5-13(10-17)15(19)18-11-16(3,4)14-9-7-6-8-12(14)2/h6-9,13H,5,11H2,1-4H3,(H,18,19)
InChIKeyFASOJLCWJHJIGB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds5

About 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide

2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide (PubChem CID 115188479) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide
PubChem CID115188479
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide
SMILESCCC(C#N)C(=O)NCC(C)(C)c1ccccc1C
InChIInChI=1S/C16H22N2O/c1-5-13(10-17)15(19)18-11-16(3,4)14-9-7-6-8-12(14)2/h6-9,13H,5,11H2,1-4H3,(H,18,19)
InChIKeyFASOJLCWJHJIGB-UHFFFAOYSA-N
XLogP2.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115188496
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
CID 115175277
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 119308089
1-(1-hydroxybutan-2-yl)-3-[2-methyl-2-(2-methylphenyl)propyl]urea
CID 110922244
2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 104761601
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide?
The IUPAC name of 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide (CID 115188479) is 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide.
What is the SMILES notation for 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide?
The canonical SMILES for 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide is CCC(C#N)C(=O)NCC(C)(C)c1ccccc1C.
What is the InChIKey of 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide?
The InChIKey is FASOJLCWJHJIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-13(10-17)15(19)18-11-16(3,4)14-9-7-6-8-12(14)2/h6-9,13H,5,11H2,1-4H3,(H,18,19).
What are the key properties of 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide?
2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide has a molecular weight of 258.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide is sourced from PubChem (CID 115188479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).