2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide

C11H11N3O2 — CID 739635

IUPAC2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1C=NNC(=O)CC#N
InChIInChI=1S/C11H11N3O2/c1-16-10-5-3-2-4-9(10)8-13-14-11(15)6-7-12/h2-5,8H,6H2,1H3,(H,14,15)
InChIKeyWBBRGTDADMJTSI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.06
Rot. Bonds4

About 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide

2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 739635) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID739635
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1C=NNC(=O)CC#N
InChIInChI=1S/C11H11N3O2/c1-16-10-5-3-2-4-9(10)8-13-14-11(15)6-7-12/h2-5,8H,6H2,1H3,(H,14,15)
InChIKeyWBBRGTDADMJTSI-UHFFFAOYSA-N
XLogP1.06
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.06
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

N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54609722
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide (CID 739635) is 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1C=NNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is WBBRGTDADMJTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-5-3-2-4-9(10)8-13-14-11(15)6-7-12/h2-5,8H,6H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide?
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 217.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 739635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).