4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide

C23H27N3O2 — CID 4510434

IUPAC4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O2/c1-16-8-10-18(11-9-16)17(2)25-26-23(28)20-12-14-21(15-13-20)24-22(27)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyAFRPYACEAAOSKX-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.67
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide (PubChem CID 4510434) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
PubChem CID4510434
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O2/c1-16-8-10-18(11-9-16)17(2)25-26-23(28)20-12-14-21(15-13-20)24-22(27)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyAFRPYACEAAOSKX-UHFFFAOYSA-N
XLogP4.67
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.67
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'}

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Related Compounds

1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
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-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
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]-4-methyl-3-nitrobenzamide
CID 4249244
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 27526972

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide (CID 4510434) is 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
The InChIKey is AFRPYACEAAOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-10-18(11-9-16)17(2)25-26-23(28)20-12-14-21(15-13-20)24-22(27)19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4510434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).