N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide

C24H29N3O3 — CID 6390821

IUPACN-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-30-22-15-11-20(12-16-22)24(29)27-26-17(2)18-9-13-21(14-10-18)25-23(28)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,25,28)(H,27,29)/b26-17-
InChIKeyCSAPGSNRUSWBCX-ONUIUJJFSA-N
MW407.51 g/mol
LogP4.76
Rot. Bonds7

About N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide

N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide (PubChem CID 6390821) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
PubChem CID6390821
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-30-22-15-11-20(12-16-22)24(29)27-26-17(2)18-9-13-21(14-10-18)25-23(28)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,25,28)(H,27,29)/b26-17-
InChIKeyCSAPGSNRUSWBCX-ONUIUJJFSA-N
XLogP4.76
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.76
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
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-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
ethyl (3Z)-3-[[4-(cyclohexanecarbonylamino)benzoyl]hydrazinylidene]-2-methylbutanoate
CID 6134995
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
4-[(2-bromophenoxy)methyl]-N-[1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 3698670
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide (CID 6390821) is N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide?
The InChIKey is CSAPGSNRUSWBCX-ONUIUJJFSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-30-22-15-11-20(12-16-22)24(29)27-26-17(2)18-9-13-21(14-10-18)25-23(28)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,25,28)(H,27,29)/b26-17-.
What are the key properties of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide?
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide has a molecular weight of 407.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 6390821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).