N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide

C18H18N4O — CID 17080225

IUPACN-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
SMILESC/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(N)cc1
InChIInChI=1S/C18H18N4O/c1-13(14-6-8-16(19)9-7-14)20-21-18(23)12-22-11-10-15-4-2-3-5-17(15)22/h2-11H,12,19H2,1H3,(H,21,23)/b20-13-
InChIKeyNEGMYNRDZAUUQS-MOSHPQCFSA-N
MW306.37 g/mol
LogP2.76
Rot. Bonds4

About N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide

N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide (PubChem CID 17080225) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
PubChem CID17080225
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
SMILESC/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(N)cc1
InChIInChI=1S/C18H18N4O/c1-13(14-6-8-16(19)9-7-14)20-21-18(23)12-22-11-10-15-4-2-3-5-17(15)22/h2-11H,12,19H2,1H3,(H,21,23)/b20-13-
InChIKeyNEGMYNRDZAUUQS-MOSHPQCFSA-N
XLogP2.76
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.76
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

2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 6284969
N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 5150836
2-indol-1-yl-N-(1-naphthalen-2-ylethylideneamino)acetamide
CID 3659889
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 17080231
2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 7316808
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
CID 27876412

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide?
The IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide (CID 17080225) is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide is C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(N)cc1.
What is the InChIKey of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide?
The InChIKey is NEGMYNRDZAUUQS-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(14-6-8-16(19)9-7-14)20-21-18(23)12-22-11-10-15-4-2-3-5-17(15)22/h2-11H,12,19H2,1H3,(H,21,23)/b20-13-.
What are the key properties of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide?
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide has a molecular weight of 306.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide is sourced from PubChem (CID 17080225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).