4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

C19H20N2O — CID 43010261

IUPAC4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)16-8-10-17(11-9-16)14(3)21-19(22)18-6-4-15(12-20)5-7-18/h4-11,13-14H,1-3H3,(H,21,22)
InChIKeyMUMVTRAYFTVJQL-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.17
Rot. Bonds4

About 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 43010261) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID43010261
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)16-8-10-17(11-9-16)14(3)21-19(22)18-6-4-15(12-20)5-7-18/h4-11,13-14H,1-3H3,(H,21,22)
InChIKeyMUMVTRAYFTVJQL-UHFFFAOYSA-N
XLogP4.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide
CID 55706292
N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 99853114
N-[1-[1-(4-cyanophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55583643
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-cyano-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 51177603
N-(1-cyanoethyl)-4-propan-2-ylbenzamide
CID 61121040

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide (CID 43010261) is 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(C(C)NC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is MUMVTRAYFTVJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)16-8-10-17(11-9-16)14(3)21-19(22)18-6-4-15(12-20)5-7-18/h4-11,13-14H,1-3H3,(H,21,22).
What are the key properties of 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide?
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 43010261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).