N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide

C24H22N4O — CID 27876412

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C24H22N4O/c1-17(19-11-13-21(25)14-12-19)26-27-24(29)23-15-20-9-5-6-10-22(20)28(23)16-18-7-3-2-4-8-18/h2-15H,16,25H2,1H3,(H,27,29)/b26-17+
InChIKeyODLQFXDFUAFDQS-YZSQISJMSA-N
MW382.47 g/mol
LogP4.43
Rot. Bonds5

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide (PubChem CID 27876412) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
PubChem CID27876412
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C24H22N4O/c1-17(19-11-13-21(25)14-12-19)26-27-24(29)23-15-20-9-5-6-10-22(20)28(23)16-18-7-3-2-4-8-18/h2-15H,16,25H2,1H3,(H,27,29)/b26-17+
InChIKeyODLQFXDFUAFDQS-YZSQISJMSA-N
XLogP4.43
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
1-[(4-aminophenyl)methyl]indole-2-carboxylic acid;2,2,2-trifluoroacetamide
CID 161133236
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 17080225
1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide
CID 135882965
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
(2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91639240
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
5-amino-1-[(4-tert-butylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 42808855

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide (CID 27876412) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide is C/C(=N\NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide?
The InChIKey is ODLQFXDFUAFDQS-YZSQISJMSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17(19-11-13-21(25)14-12-19)26-27-24(29)23-15-20-9-5-6-10-22(20)28(23)16-18-7-3-2-4-8-18/h2-15H,16,25H2,1H3,(H,27,29)/b26-17+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide is sourced from PubChem (CID 27876412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).