3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide

C15H20N2O — CID 82130381

IUPAC3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(C(C#N)CC(=O)N(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)12-5-7-13(8-6-12)14(10-16)9-15(18)17(3)4/h5-8,11,14H,9H2,1-4H3
InChIKeyWSHOOROPGQCTCC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.90
Rot. Bonds4

About 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide

3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 82130381) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
PubChem CID82130381
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(C(C#N)CC(=O)N(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)12-5-7-13(8-6-12)14(10-16)9-15(18)17(3)4/h5-8,11,14H,9H2,1-4H3
InChIKeyWSHOOROPGQCTCC-UHFFFAOYSA-N
XLogP2.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide 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

3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
CID 82127044
3-(dimethylamino)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82078866
3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
CID 82129603
N-butyl-3-cyano-N-methyl-3-(4-methylphenyl)propanamide
CID 112511575
3-cyano-3-phenyl-N,N-di(propan-2-yl)propanamide;3-cyano-3-phenylpropanoic acid
CID 159488647
ethyl 3-cyano-3-[4-(dimethylamino)phenyl]propanoate
CID 112508604
2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82118131
ethyl 3-(4-chlorophenyl)-3-cyanopropanoate
CID 13074184
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
N-butan-2-yl-3-cyano-3-[4-(dimethylamino)phenyl]propanamide
CID 165350981
N-[cyano-(4-propan-2-ylphenyl)methyl]-N,2-dimethylpropanamide
CID 82121024
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide (CID 82130381) is 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(C(C#N)CC(=O)N(C)C)cc1.
What is the InChIKey of 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is WSHOOROPGQCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)12-5-7-13(8-6-12)14(10-16)9-15(18)17(3)4/h5-8,11,14H,9H2,1-4H3.
What are the key properties of 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide?
3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 82130381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).