N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide

C12H15N3O5 — CID 6894085

IUPACN'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1OC
InChIInChI=1S/C12H15N3O5/c1-18-8-5-4-7(9(19-2)10(8)20-3)6-14-15-12(17)11(13)16/h4-6H,1-3H3,(H2,13,16)(H,15,17)/b14-6+
InChIKeyNPAHBUGEZFJMEV-MKMNVTDBSA-N
MW281.27 g/mol
LogP-0.35
Rot. Bonds5

About N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide

N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide (PubChem CID 6894085) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
PubChem CID6894085
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1OC
InChIInChI=1S/C12H15N3O5/c1-18-8-5-4-7(9(19-2)10(8)20-3)6-14-15-12(17)11(13)16/h4-6H,1-3H3,(H2,13,16)(H,15,17)/b14-6+
InChIKeyNPAHBUGEZFJMEV-MKMNVTDBSA-N
XLogP-0.35
TPSA112.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.35
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)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide (CID 6894085) is N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide is COc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1OC.
What is the InChIKey of N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is NPAHBUGEZFJMEV-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-18-8-5-4-7(9(19-2)10(8)20-3)6-14-15-12(17)11(13)16/h4-6H,1-3H3,(H2,13,16)(H,15,17)/b14-6+.
What are the key properties of N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 281.27 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6894085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).