N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide

C15H19N3O3 — CID 6896236

IUPACN-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H19N3O3/c1-4-9-21-13-7-5-12(6-8-13)10-16-18-15(20)14(19)17-11(2)3/h4-8,10-11H,1,9H2,2-3H3,(H,17,19)(H,18,20)/b16-10+
InChIKeyFZAJOIQAXOKVIU-MHWRWJLKSA-N
MW289.34 g/mol
LogP1.23
Rot. Bonds6

About N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide

N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 6896236) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID6896236
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H19N3O3/c1-4-9-21-13-7-5-12(6-8-13)10-16-18-15(20)14(19)17-11(2)3/h4-8,10-11H,1,9H2,2-3H3,(H,17,19)(H,18,20)/b16-10+
InChIKeyFZAJOIQAXOKVIU-MHWRWJLKSA-N
XLogP1.23
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.23
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8989358
N-(3-propan-2-yloxypropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989348
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 94863500
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
CID 40538841

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 6896236) is N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is FZAJOIQAXOKVIU-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-9-21-13-7-5-12(6-8-13)10-16-18-15(20)14(19)17-11(2)3/h4-8,10-11H,1,9H2,2-3H3,(H,17,19)(H,18,20)/b16-10+.
What are the key properties of N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 289.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6896236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).