4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide

C25H23N3O2 — CID 55593914

IUPAC4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-16-28(18-20-10-8-19(17-26)9-11-20)25(30)22-12-14-23(15-13-22)27-24(29)21-6-4-3-5-7-21/h3-15H,2,16,18H2,1H3,(H,27,29)
InChIKeyZDENDBDODDQNET-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.86
Rot. Bonds7

About 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide

4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide (PubChem CID 55593914) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
PubChem CID55593914
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-16-28(18-20-10-8-19(17-26)9-11-20)25(30)22-12-14-23(15-13-22)27-24(29)21-6-4-3-5-7-21/h3-15H,2,16,18H2,1H3,(H,27,29)
InChIKeyZDENDBDODDQNET-UHFFFAOYSA-N
XLogP4.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-[(4-benzamidophenyl)methyl]-4-cyanobenzamide
CID 23824787
4-benzamido-N-(cyanomethyl)-N-propylbenzamide
CID 52729751
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 17196210
3-[(3-bromobenzoyl)amino]-N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)benzamide
CID 112832674
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056164
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide?
The IUPAC name of 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide (CID 55593914) is 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide.
What is the SMILES notation for 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide?
The canonical SMILES for 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide is CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide?
The InChIKey is ZDENDBDODDQNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-16-28(18-20-10-8-19(17-26)9-11-20)25(30)22-12-14-23(15-13-22)27-24(29)21-6-4-3-5-7-21/h3-15H,2,16,18H2,1H3,(H,27,29).
What are the key properties of 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide?
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide is sourced from PubChem (CID 55593914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).