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

C16H17N3O5 — CID 5334191

IUPACN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OC
InChIInChI=1S/C16H17N3O5/c1-22-13-7-3-5-11(14(13)23-2)9-18-19-16(21)15(20)17-10-12-6-4-8-24-12/h3-9H,10H2,1-2H3,(H,17,20)(H,19,21)/b18-9+
InChIKeyANRMUVGBBIDFEL-GIJQJNRQSA-N
MW331.33 g/mol
LogP1.06
Rot. Bonds6

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

N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 5334191) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID5334191
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OC
InChIInChI=1S/C16H17N3O5/c1-22-13-7-3-5-11(14(13)23-2)9-18-19-16(21)15(20)17-10-12-6-4-8-24-12/h3-9H,10H2,1-2H3,(H,17,20)(H,19,21)/b18-9+
InChIKeyANRMUVGBBIDFEL-GIJQJNRQSA-N
XLogP1.06
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.06
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-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 5334191) is N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide is COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OC.
What is the InChIKey of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is ANRMUVGBBIDFEL-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-22-13-7-3-5-11(14(13)23-2)9-18-19-16(21)15(20)17-10-12-6-4-8-24-12/h3-9H,10H2,1-2H3,(H,17,20)(H,19,21)/b18-9+.
What are the key properties of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 331.33 g/mol, XLogP of 1.06, 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-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 5334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).