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

C11H13N3O4 — CID 6907755

IUPACN'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1
InChIInChI=1S/C11H13N3O4/c1-17-8-4-3-7(9(5-8)18-2)6-13-14-11(16)10(12)15/h3-6H,1-2H3,(H2,12,15)(H,14,16)/b13-6+
InChIKeyBTWUNXTWHZEERW-AWNIVKPZSA-N
MW251.24 g/mol
LogP-0.36
Rot. Bonds4

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

N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 6907755) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID6907755
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1
InChIInChI=1S/C11H13N3O4/c1-17-8-4-3-7(9(5-8)18-2)6-13-14-11(16)10(12)15/h3-6H,1-2H3,(H2,12,15)(H,14,16)/b13-6+
InChIKeyBTWUNXTWHZEERW-AWNIVKPZSA-N
XLogP-0.36
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.36
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
1-[(2,4-dimethoxyphenyl)methylideneamino]-2-nitroguanidine
CID 135444547
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
CID 9120780
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide (CID 6907755) is N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide is COc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1.
What is the InChIKey of N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is BTWUNXTWHZEERW-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-17-8-4-3-7(9(5-8)18-2)6-13-14-11(16)10(12)15/h3-6H,1-2H3,(H2,12,15)(H,14,16)/b13-6+.
What are the key properties of N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide?
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 251.24 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6907755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).