N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide

C19H19N3O4 — CID 6871654

IUPACN-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C19H19N3O4/c1-3-11-26-15-8-6-7-14(12-15)13-20-22-19(24)18(23)21-16-9-4-5-10-17(16)25-2/h3-10,12-13H,1,11H2,2H3,(H,21,23)(H,22,24)/b20-13+
InChIKeyIXKNJIAGQHKKEC-DEDYPNTBSA-N
MW353.38 g/mol
LogP2.35
Rot. Bonds7

About N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide

N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 6871654) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID6871654
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C19H19N3O4/c1-3-11-26-15-8-6-7-14(12-15)13-20-22-19(24)18(23)21-16-9-4-5-10-17(16)25-2/h3-10,12-13H,1,11H2,2H3,(H,21,23)(H,22,24)/b20-13+
InChIKeyIXKNJIAGQHKKEC-DEDYPNTBSA-N
XLogP2.35
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 6871654) is N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is IXKNJIAGQHKKEC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-11-26-15-8-6-7-14(12-15)13-20-22-19(24)18(23)21-16-9-4-5-10-17(16)25-2/h3-10,12-13H,1,11H2,2H3,(H,21,23)(H,22,24)/b20-13+.
What are the key properties of N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 353.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6871654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).