2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide

C19H19N3O2 — CID 7316808

IUPAC2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccccc1/C(C)=N/NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C19H19N3O2/c1-14(16-8-4-6-10-18(16)24-2)20-21-19(23)13-22-12-11-15-7-3-5-9-17(15)22/h3-12H,13H2,1-2H3,(H,21,23)/b20-14+
InChIKeyODJNZANWWXFVML-XSFVSMFZSA-N
MW321.38 g/mol
LogP3.19
Rot. Bonds5

About 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide

2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 7316808) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
PubChem CID7316808
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccccc1/C(C)=N/NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C19H19N3O2/c1-14(16-8-4-6-10-18(16)24-2)20-21-19(23)13-22-12-11-15-7-3-5-9-17(15)22/h3-12H,13H2,1-2H3,(H,21,23)/b20-14+
InChIKeyODJNZANWWXFVML-XSFVSMFZSA-N
XLogP3.19
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
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

2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
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
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 17080231
5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
CID 17094435
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
2-ethoxy-N'-(2-indol-1-ylacetyl)benzohydrazide
CID 17080340
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
CID 75404791

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide (CID 7316808) is 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide is COc1ccccc1/C(C)=N/NC(=O)Cn1ccc2ccccc21.
What is the InChIKey of 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is ODJNZANWWXFVML-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(16-8-4-6-10-18(16)24-2)20-21-19(23)13-22-12-11-15-7-3-5-9-17(15)22/h3-12H,13H2,1-2H3,(H,21,23)/b20-14+.
What are the key properties of 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide?
2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 7316808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).