N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide

C23H27N3O2 — CID 3653941

IUPACN-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
SMILESCC(=NNC(=O)c1cccc(C)c1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H27N3O2/c1-16-8-6-12-20(14-16)23(28)26-25-17(2)19-11-7-13-21(15-19)24-22(27)18-9-4-3-5-10-18/h6-8,11-15,18H,3-5,9-10H2,1-2H3,(H,24,27)(H,26,28)
InChIKeySPJSUFTYNMZDQJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.67
Rot. Bonds5

About N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide

N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide (PubChem CID 3653941) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
PubChem CID3653941
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
SMILESCC(=NNC(=O)c1cccc(C)c1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H27N3O2/c1-16-8-6-12-20(14-16)23(28)26-25-17(2)19-11-7-13-21(15-19)24-22(27)18-9-4-3-5-10-18/h6-8,11-15,18H,3-5,9-10H2,1-2H3,(H,24,27)(H,26,28)
InChIKeySPJSUFTYNMZDQJ-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

N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 3425855
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide?
The IUPAC name of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide (CID 3653941) is N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide is CC(=NNC(=O)c1cccc(C)c1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide?
The InChIKey is SPJSUFTYNMZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-6-12-20(14-16)23(28)26-25-17(2)19-11-7-13-21(15-19)24-22(27)18-9-4-3-5-10-18/h6-8,11-15,18H,3-5,9-10H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide?
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide 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 N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide is sourced from PubChem (CID 3653941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).