3-cyano-3-methyl-N-phenylbutanamide

C12H14N2O — CID 135080884

IUPAC3-cyano-3-methyl-N-phenylbutanamide
SMILESCC(C)(C#N)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O/c1-12(2,9-13)8-11(15)14-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyRAZCMUKQTYBUNO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.56
Rot. Bonds3

About 3-cyano-3-methyl-N-phenylbutanamide

3-cyano-3-methyl-N-phenylbutanamide (PubChem CID 135080884) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyano-3-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name3-cyano-3-methyl-N-phenylbutanamide
PubChem CID135080884
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-cyano-3-methyl-N-phenylbutanamide
SMILESCC(C)(C#N)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O/c1-12(2,9-13)8-11(15)14-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyRAZCMUKQTYBUNO-UHFFFAOYSA-N
XLogP2.56
TPSA52.89 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-methyl-N-phenylbutanamide?
The IUPAC name of 3-cyano-3-methyl-N-phenylbutanamide (CID 135080884) is 3-cyano-3-methyl-N-phenylbutanamide.
What is the SMILES notation for 3-cyano-3-methyl-N-phenylbutanamide?
The canonical SMILES for 3-cyano-3-methyl-N-phenylbutanamide is CC(C)(C#N)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-cyano-3-methyl-N-phenylbutanamide?
The InChIKey is RAZCMUKQTYBUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,9-13)8-11(15)14-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of 3-cyano-3-methyl-N-phenylbutanamide?
3-cyano-3-methyl-N-phenylbutanamide has a molecular weight of 202.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-methyl-N-phenylbutanamide is sourced from PubChem (CID 135080884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).