4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile

C19H20N2O — CID 133456917

IUPAC4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(NC(C)Cc2ccccc2C)c1
InChIInChI=1S/C19H20N2O/c1-13-6-4-5-7-16(13)10-14(2)21-19-11-17(15(3)22)8-9-18(19)12-20/h4-9,11,14,21H,10H2,1-3H3
InChIKeyDCCRTALFVWFRKX-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.11
Rot. Bonds5

About 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile

4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile (PubChem CID 133456917) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile
PubChem CID133456917
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(NC(C)Cc2ccccc2C)c1
InChIInChI=1S/C19H20N2O/c1-13-6-4-5-7-16(13)10-14(2)21-19-11-17(15(3)22)8-9-18(19)12-20/h4-9,11,14,21H,10H2,1-3H3
InChIKeyDCCRTALFVWFRKX-UHFFFAOYSA-N
XLogP4.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile 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-acetyl-2-[1-(2-fluorophenyl)propan-2-ylamino]benzonitrile
CID 133456691
4-(5-acetyl-2-cyanoanilino)-5-phenylpentanoic acid
CID 122064188
4-acetyl-2-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]benzonitrile
CID 133457824
4-acetyl-2-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]benzonitrile
CID 133456160
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
4-acetyl-2-[[2-(dimethylamino)-3-phenylpropyl]amino]benzonitrile
CID 133465960
4-acetyl-2-[2-[benzyl(methyl)amino]propylamino]benzonitrile
CID 133457963
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
4-acetyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]benzonitrile
CID 133457332
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
CID 55135953
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
4-acetyl-2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 133458455

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile?
The IUPAC name of 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile (CID 133456917) is 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile.
What is the SMILES notation for 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile?
The canonical SMILES for 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile is CC(=O)c1ccc(C#N)c(NC(C)Cc2ccccc2C)c1.
What is the InChIKey of 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile?
The InChIKey is DCCRTALFVWFRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-6-4-5-7-16(13)10-14(2)21-19-11-17(15(3)22)8-9-18(19)12-20/h4-9,11,14,21H,10H2,1-3H3.
What are the key properties of 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile?
4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile has a molecular weight of 292.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[1-(2-methylphenyl)propan-2-ylamino]benzonitrile is sourced from PubChem (CID 133456917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).