4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide

C26H33N3O2 — CID 4250285

IUPAC4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C26H33N3O2/c1-18(28-29-25(31)21-10-14-22(15-11-21)26(2,3)4)19-12-16-23(17-13-19)27-24(30)20-8-6-5-7-9-20/h10-17,20H,5-9H2,1-4H3,(H,27,30)(H,29,31)
InChIKeyMOQVBOMOZWJCQK-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.66
Rot. Bonds5

About 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide

4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide (PubChem CID 4250285) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
PubChem CID4250285
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C26H33N3O2/c1-18(28-29-25(31)21-10-14-22(15-11-21)26(2,3)4)19-12-16-23(17-13-19)27-24(30)20-8-6-5-7-9-20/h10-17,20H,5-9H2,1-4H3,(H,27,30)(H,29,31)
InChIKeyMOQVBOMOZWJCQK-UHFFFAOYSA-N
XLogP5.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]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

1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 27526972

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide (CID 4250285) is 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
The InChIKey is MOQVBOMOZWJCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18(28-29-25(31)21-10-14-22(15-11-21)26(2,3)4)19-12-16-23(17-13-19)27-24(30)20-8-6-5-7-9-20/h10-17,20H,5-9H2,1-4H3,(H,27,30)(H,29,31).
What are the key properties of 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide?
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide has a molecular weight of 419.57 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 4250285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).