2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide

C19H16N4O2 — CID 831295

IUPAC2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCn1cc(C=NNC(=O)COc2ccccc2C#N)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-23-12-15(16-7-3-4-8-17(16)23)11-21-22-19(24)13-25-18-9-5-2-6-14(18)10-20/h2-9,11-12H,13H2,1H3,(H,22,24)
InChIKeyJASQKIFPYYAMCF-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide (PubChem CID 831295) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
PubChem CID831295
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCn1cc(C=NNC(=O)COc2ccccc2C#N)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-23-12-15(16-7-3-4-8-17(16)23)11-21-22-19(24)13-25-18-9-5-2-6-14(18)10-20/h2-9,11-12H,13H2,1H3,(H,22,24)
InChIKeyJASQKIFPYYAMCF-UHFFFAOYSA-N
XLogP2.58
TPSA79.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 46501967

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide (CID 831295) is 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide is Cn1cc(C=NNC(=O)COc2ccccc2C#N)c2ccccc21.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide?
The InChIKey is JASQKIFPYYAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-12-15(16-7-3-4-8-17(16)23)11-21-22-19(24)13-25-18-9-5-2-6-14(18)10-20/h2-9,11-12H,13H2,1H3,(H,22,24).
What are the key properties of 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 831295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).