1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide

C36H42N4O2 — CID 6256670

IUPAC1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESC/C(=N/NC(=O)c1ccc(C(=O)N/N=C(/C)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C36H42N4O2/c1-25(27-13-17-31(18-14-27)29-9-5-3-6-10-29)37-39-35(41)33-21-23-34(24-22-33)36(42)40-38-26(2)28-15-19-32(20-16-28)30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,39,41)(H,40,42)/b37-25-,38-26-
InChIKeyUSAUIDNOGGADIG-MEDPLMNLSA-N
MW562.76 g/mol
LogP8.09
Rot. Bonds8

About 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide (PubChem CID 6256670) has the molecular formula C36H42N4O2 and a molecular weight of 562.76 g/mol. Its IUPAC name is 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
PubChem CID6256670
Molecular FormulaC36H42N4O2
Molecular Weight562.76 g/mol
Exact Mass562.33
IUPAC Name1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESC/C(=N/NC(=O)c1ccc(C(=O)N/N=C(/C)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C36H42N4O2/c1-25(27-13-17-31(18-14-27)29-9-5-3-6-10-29)37-39-35(41)33-21-23-34(24-22-33)36(42)40-38-26(2)28-15-19-32(20-16-28)30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,39,41)(H,40,42)/b37-25-,38-26-
InChIKeyUSAUIDNOGGADIG-MEDPLMNLSA-N
XLogP8.09
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide 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

N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
4-cyclopentyloxy-N-(1-phenylethylideneamino)benzamide
CID 842328
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide (CID 6256670) is 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide is C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(/C)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is USAUIDNOGGADIG-MEDPLMNLSA-N. The full InChI is InChI=1S/C36H42N4O2/c1-25(27-13-17-31(18-14-27)29-9-5-3-6-10-29)37-39-35(41)33-21-23-34(24-22-33)36(42)40-38-26(2)28-15-19-32(20-16-28)30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,39,41)(H,40,42)/b37-25-,38-26-.
What are the key properties of 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 562.76 g/mol, XLogP of 8.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 6256670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).