2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide

C16H22N2O — CID 112510646

IUPAC2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(C#N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-9-18-16(19)15(11-17)10-13-5-7-14(8-6-13)12(2)3/h5-8,12,15H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZVMRAAPSIGKCMD-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.02
Rot. Bonds6

About 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide

2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide (PubChem CID 112510646) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
PubChem CID112510646
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(C#N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-9-18-16(19)15(11-17)10-13-5-7-14(8-6-13)12(2)3/h5-8,12,15H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZVMRAAPSIGKCMD-UHFFFAOYSA-N
XLogP3.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide 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

2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82118131
3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
3-(4-bromophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82124577
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
CID 60501121
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide
CID 126837181

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide?
The IUPAC name of 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide (CID 112510646) is 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide.
What is the SMILES notation for 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide?
The canonical SMILES for 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide is CCCNC(=O)C(C#N)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide?
The InChIKey is ZVMRAAPSIGKCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-9-18-16(19)15(11-17)10-13-5-7-14(8-6-13)12(2)3/h5-8,12,15H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide?
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide is sourced from PubChem (CID 112510646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).