2-(4-cyano-2-methylphenyl)butanamide

C12H14N2O — CID 91162767

IUPAC2-(4-cyano-2-methylphenyl)butanamide
SMILESCCC(C(N)=O)c1ccc(C#N)cc1C
InChIInChI=1S/C12H14N2O/c1-3-10(12(14)15)11-5-4-9(7-13)6-8(11)2/h4-6,10H,3H2,1-2H3,(H2,14,15)
InChIKeyDIUMQJOLOFSJBV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-cyano-2-methylphenyl)butanamide

2-(4-cyano-2-methylphenyl)butanamide (PubChem CID 91162767) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(4-cyano-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-cyano-2-methylphenyl)butanamide
PubChem CID91162767
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(4-cyano-2-methylphenyl)butanamide
SMILESCCC(C(N)=O)c1ccc(C#N)cc1C
InChIInChI=1S/C12H14N2O/c1-3-10(12(14)15)11-5-4-9(7-13)6-8(11)2/h4-6,10H,3H2,1-2H3,(H2,14,15)
InChIKeyDIUMQJOLOFSJBV-UHFFFAOYSA-N
XLogP1.85
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methylphenyl)butanamide?
The IUPAC name of 2-(4-cyano-2-methylphenyl)butanamide (CID 91162767) is 2-(4-cyano-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(4-cyano-2-methylphenyl)butanamide?
The canonical SMILES for 2-(4-cyano-2-methylphenyl)butanamide is CCC(C(N)=O)c1ccc(C#N)cc1C.
What is the InChIKey of 2-(4-cyano-2-methylphenyl)butanamide?
The InChIKey is DIUMQJOLOFSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-10(12(14)15)11-5-4-9(7-13)6-8(11)2/h4-6,10H,3H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4-cyano-2-methylphenyl)butanamide?
2-(4-cyano-2-methylphenyl)butanamide has a molecular weight of 202.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methylphenyl)butanamide is sourced from PubChem (CID 91162767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).