N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide

C18H19N3O5 — CID 6896075

IUPACN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1
InChIInChI=1S/C18H19N3O5/c1-24-14-8-5-7-13(10-14)20-17(22)18(23)21-19-11-12-6-4-9-15(25-2)16(12)26-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyQKIGFDONMZEIAK-YBFXNURJSA-N
MW357.37 g/mol
LogP1.80
Rot. Bonds6

About N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide

N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide (PubChem CID 6896075) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
PubChem CID6896075
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1
InChIInChI=1S/C18H19N3O5/c1-24-14-8-5-7-13(10-14)20-17(22)18(23)21-19-11-12-6-4-9-15(25-2)16(12)26-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyQKIGFDONMZEIAK-YBFXNURJSA-N
XLogP1.80
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide (CID 6896075) is N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1.
What is the InChIKey of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The InChIKey is QKIGFDONMZEIAK-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-24-14-8-5-7-13(10-14)20-17(22)18(23)21-19-11-12-6-4-9-15(25-2)16(12)26-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11+.
What are the key properties of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide has a molecular weight of 357.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 6896075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).