2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

C17H19N3O3 — CID 71624538

IUPAC2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-22-15-9-8-13(10-16(15)23-2)11-19-20-17(21)12-18-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,20,21)/b19-11+
InChIKeyFJFFGJDHQGXXSQ-YBFXNURJSA-N
MW313.36 g/mol
LogP2.27
Rot. Bonds7

About 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 71624538) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID71624538
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-22-15-9-8-13(10-16(15)23-2)11-19-20-17(21)12-18-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,20,21)/b19-11+
InChIKeyFJFFGJDHQGXXSQ-YBFXNURJSA-N
XLogP2.27
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide (CID 71624538) is 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1OC.
What is the InChIKey of 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is FJFFGJDHQGXXSQ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-15-9-8-13(10-16(15)23-2)11-19-20-17(21)12-18-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71624538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).