N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

C15H19N3O3 — CID 8988925

IUPACN-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H19N3O3/c1-2-9-21-13-7-3-11(4-8-13)10-16-18-15(20)14(19)17-12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyLICPEYAKSAWISR-YBEGLDIGSA-N
MW289.33 g/mol
LogP1.20
Rot. Bonds6

About N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988925) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988925
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H19N3O3/c1-2-9-21-13-7-3-11(4-8-13)10-16-18-15(20)14(19)17-12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyLICPEYAKSAWISR-YBEGLDIGSA-N
XLogP1.20
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.20
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-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8899268
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126278983
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (CID 8988925) is N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is LICPEYAKSAWISR-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-9-21-13-7-3-11(4-8-13)10-16-18-15(20)14(19)17-12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,17,19)(H,18,20)/b16-10-.
What are the key properties of N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 289.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).