N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide

C20H21N3O2 — CID 134035544

IUPACN-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-17-6-4-5-16(11-17)18(24)22-13-15-9-7-14(12-21)8-10-15/h4-11H,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRSGIFSMSLACQDS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.47
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide

N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 134035544) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID134035544
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-17-6-4-5-16(11-17)18(24)22-13-15-9-7-14(12-21)8-10-15/h4-11H,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRSGIFSMSLACQDS-UHFFFAOYSA-N
XLogP3.47
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)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

3-(2,2-dimethylpropanoylamino)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30545357
3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 134057132
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
(4-cyano-2-methoxyphenyl) 3-(2,2-dimethylpropanoylamino)benzoate
CID 35354720
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 46582053
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide (CID 134035544) is N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NCc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is RSGIFSMSLACQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-17-6-4-5-16(11-17)18(24)22-13-15-9-7-14(12-21)8-10-15/h4-11H,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 134035544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).