N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide

C24H26N4O2 — CID 4167609

IUPACN-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
SMILESCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H26N4O2/c1-16(27-28-24(30)21-15-25-22-10-6-5-9-20(21)22)17-11-13-19(14-12-17)26-23(29)18-7-3-2-4-8-18/h5-6,9-15,18,25H,2-4,7-8H2,1H3,(H,26,29)(H,28,30)
InChIKeyMDLWIXKZLGXDOG-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.84
Rot. Bonds5

About N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide

N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 4167609) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
PubChem CID4167609
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
SMILESCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H26N4O2/c1-16(27-28-24(30)21-15-25-22-10-6-5-9-20(21)22)17-11-13-19(14-12-17)26-23(29)18-7-3-2-4-8-18/h5-6,9-15,18,25H,2-4,7-8H2,1H3,(H,26,29)(H,28,30)
InChIKeyMDLWIXKZLGXDOG-UHFFFAOYSA-N
XLogP4.84
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.84
H-Bond Donors ≤ 53
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
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 19685568
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
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,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide (CID 4167609) is N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide is CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is MDLWIXKZLGXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16(27-28-24(30)21-15-25-22-10-6-5-9-20(21)22)17-11-13-19(14-12-17)26-23(29)18-7-3-2-4-8-18/h5-6,9-15,18,25H,2-4,7-8H2,1H3,(H,26,29)(H,28,30).
What are the key properties of N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide?
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 4167609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).