N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide

C23H27N3O3 — CID 4177101

IUPACN-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(25-26-23(28)20-10-6-7-11-21(20)29-2)17-12-14-19(15-13-17)24-22(27)18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyXXQGEFJJSSPPNA-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.37
Rot. Bonds6

About N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide

N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide (PubChem CID 4177101) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
PubChem CID4177101
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(25-26-23(28)20-10-6-7-11-21(20)29-2)17-12-14-19(15-13-17)24-22(27)18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyXXQGEFJJSSPPNA-UHFFFAOYSA-N
XLogP4.37
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.37
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'}

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Related Compounds

1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
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
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 6108928
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 4167609
2-methoxy-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6084116
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
5-chloro-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 3362887

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide (CID 4177101) is N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
The InChIKey is XXQGEFJJSSPPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(25-26-23(28)20-10-6-7-11-21(20)29-2)17-12-14-19(15-13-17)24-22(27)18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide?
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide has a molecular weight of 393.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 4177101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).