N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide

C19H20N4O2 — CID 60506191

IUPACN-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N4O2/c1-13(2)22-19(25)23-17-9-7-16(8-10-17)18(24)21-12-15-5-3-14(11-20)4-6-15/h3-10,13H,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyHEMZUQUHETWFMR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.02
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 60506191) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID60506191
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N4O2/c1-13(2)22-19(25)23-17-9-7-16(8-10-17)18(24)21-12-15-5-3-14(11-20)4-6-15/h3-10,13H,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyHEMZUQUHETWFMR-UHFFFAOYSA-N
XLogP3.02
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)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-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46464883
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914849
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915148
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 60506191) is N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is HEMZUQUHETWFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)22-19(25)23-17-9-7-16(8-10-17)18(24)21-12-15-5-3-14(11-20)4-6-15/h3-10,13H,12H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 60506191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).