4-cyano-N-(3-methyl-1-phenylbutyl)benzamide

C19H20N2O — CID 45353696

IUPAC4-cyano-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)17-10-8-15(13-20)9-11-17/h3-11,14,18H,12H2,1-2H3,(H,21,22)
InChIKeyUYOIQVHUIXHHLG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.08
Rot. Bonds5

About 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide

4-cyano-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 45353696) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID45353696
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-cyano-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)17-10-8-15(13-20)9-11-17/h3-11,14,18H,12H2,1-2H3,(H,21,22)
InChIKeyUYOIQVHUIXHHLG-UHFFFAOYSA-N
XLogP4.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide (CID 45353696) is 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is UYOIQVHUIXHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)17-10-8-15(13-20)9-11-17/h3-11,14,18H,12H2,1-2H3,(H,21,22).
What are the key properties of 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide?
4-cyano-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 45353696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).