2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide

C16H22N2O — CID 115188500

IUPAC2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
SMILESCC(C)Cc1ccc(NC(=O)C(C#N)C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-11(2)9-13-5-7-14(8-6-13)18-16(19)15(10-17)12(3)4/h5-8,11-12,15H,9H2,1-4H3,(H,18,19)
InChIKeyXARGAJICYDNZDD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.62
Rot. Bonds5

About 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide

2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide (PubChem CID 115188500) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
PubChem CID115188500
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
SMILESCC(C)Cc1ccc(NC(=O)C(C#N)C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-11(2)9-13-5-7-14(8-6-13)18-16(19)15(10-17)12(3)4/h5-8,11-12,15H,9H2,1-4H3,(H,18,19)
InChIKeyXARGAJICYDNZDD-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-methyl-N-pyridin-4-ylbutanamide
CID 55206630
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115174921
3-amino-2-hydroxy-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115180236
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide
CID 115188543
2-cyano-N-(3-iodo-4-methylphenyl)-3-methylbutanamide
CID 114257384
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide?
The IUPAC name of 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide (CID 115188500) is 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide is CC(C)Cc1ccc(NC(=O)C(C#N)C(C)C)cc1.
What is the InChIKey of 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide?
The InChIKey is XARGAJICYDNZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-13-5-7-14(8-6-13)18-16(19)15(10-17)12(3)4/h5-8,11-12,15H,9H2,1-4H3,(H,18,19).
What are the key properties of 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide?
2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide has a molecular weight of 258.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide is sourced from PubChem (CID 115188500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).