N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

C13H17N3O3 — CID 8989199

IUPACN-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)NC)c1
InChIInChI=1S/C13H17N3O3/c1-3-7-19-11-6-4-5-10(8-11)9-15-16-13(18)12(17)14-2/h4-6,8-9H,3,7H2,1-2H3,(H,14,17)(H,16,18)/b15-9-
InChIKeyXZZUBEHLZRHBMO-DHDCSXOGSA-N
MW263.30 g/mol
LogP0.67
Rot. Bonds5

About N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8989199) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
PubChem CID8989199
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)NC)c1
InChIInChI=1S/C13H17N3O3/c1-3-7-19-11-6-4-5-10(8-11)9-15-16-13(18)12(17)14-2/h4-6,8-9H,3,7H2,1-2H3,(H,14,17)(H,16,18)/b15-9-
InChIKeyXZZUBEHLZRHBMO-DHDCSXOGSA-N
XLogP0.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989212
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989195
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
N'-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164295
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126278499

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (CID 8989199) is N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is CCCOc1cccc(/C=N\NC(=O)C(=O)NC)c1.
What is the InChIKey of N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is XZZUBEHLZRHBMO-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-7-19-11-6-4-5-10(8-11)9-15-16-13(18)12(17)14-2/h4-6,8-9H,3,7H2,1-2H3,(H,14,17)(H,16,18)/b15-9-.
What are the key properties of N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 263.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).