4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

C24H21N3O2 — CID 109048503

IUPAC4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)c1
InChIInChI=1S/C24H21N3O2/c25-17-19-8-4-10-22(16-19)27-24(29)21-13-11-20(12-14-21)23(28)26-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-14,16H,5,9,15H2,(H,26,28)(H,27,29)
InChIKeyOEFJDPBQCHPBBQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.17
Rot. Bonds7

About 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109048503) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
PubChem CID109048503
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)c1
InChIInChI=1S/C24H21N3O2/c25-17-19-8-4-10-22(16-19)27-24(29)21-13-11-20(12-14-21)23(28)26-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-14,16H,5,9,15H2,(H,26,28)(H,27,29)
InChIKeyOEFJDPBQCHPBBQ-UHFFFAOYSA-N
XLogP4.17
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (CID 109048503) is 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is N#Cc1cccc(NC(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)c1.
What is the InChIKey of 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is OEFJDPBQCHPBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-17-19-8-4-10-22(16-19)27-24(29)21-13-11-20(12-14-21)23(28)26-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-14,16H,5,9,15H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).