2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide

C19H19N3O — CID 4258982

IUPAC2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O/c1-14-7-9-16(10-8-14)15(2)20-21-19(23)13-22-12-11-17-5-3-4-6-18(17)22/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyXSMYZZJGRYBGFJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.49
Rot. Bonds4

About 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide

2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 4258982) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID4258982
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O/c1-14-7-9-16(10-8-14)15(2)20-21-19(23)13-22-12-11-17-5-3-4-6-18(17)22/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyXSMYZZJGRYBGFJ-UHFFFAOYSA-N
XLogP3.49
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
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

N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 17080225
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
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 7316808
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 17080231
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546527
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide (CID 4258982) is 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is XSMYZZJGRYBGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-7-9-16(10-8-14)15(2)20-21-19(23)13-22-12-11-17-5-3-4-6-18(17)22/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4258982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).