N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide

C11H13N3O5 — CID 135433201

IUPACN'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(N)=O)cc(OC)c1O
InChIInChI=1S/C11H13N3O5/c1-18-7-3-6(4-8(19-2)9(7)15)5-13-14-11(17)10(12)16/h3-5,15H,1-2H3,(H2,12,16)(H,14,17)/b13-5+
InChIKeyAKAXNWOBIKSWCH-WLRTZDKTSA-N
MW267.24 g/mol
LogP-0.66
Rot. Bonds4

About N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide

N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 135433201) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID135433201
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(N)=O)cc(OC)c1O
InChIInChI=1S/C11H13N3O5/c1-18-7-3-6(4-8(19-2)9(7)15)5-13-14-11(17)10(12)16/h3-5,15H,1-2H3,(H2,12,16)(H,14,17)/b13-5+
InChIKeyAKAXNWOBIKSWCH-WLRTZDKTSA-N
XLogP-0.66
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide (CID 135433201) is N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N/NC(=O)C(N)=O)cc(OC)c1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is AKAXNWOBIKSWCH-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-18-7-3-6(4-8(19-2)9(7)15)5-13-14-11(17)10(12)16/h3-5,15H,1-2H3,(H2,12,16)(H,14,17)/b13-5+.
What are the key properties of N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 267.24 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135433201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).