N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide

C15H19N3O2 — CID 94833681

IUPACN'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C(/C)CCc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-11-16-14(19)15(20)18-17-12(2)9-10-13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,16,19)(H,18,20)/b17-12-
InChIKeyOJDGSOLVRHEMGJ-ATVHPVEESA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds6

About N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide (PubChem CID 94833681) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
PubChem CID94833681
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C(/C)CCc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-11-16-14(19)15(20)18-17-12(2)9-10-13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,16,19)(H,18,20)/b17-12-
InChIKeyOJDGSOLVRHEMGJ-ATVHPVEESA-N
XLogP1.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055
N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
CID 3033129
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3105090
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide
CID 92540253
N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7308891
[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide (CID 94833681) is N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C(/C)CCc1ccccc1.
What is the InChIKey of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide?
The InChIKey is OJDGSOLVRHEMGJ-ATVHPVEESA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-11-16-14(19)15(20)18-17-12(2)9-10-13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,16,19)(H,18,20)/b17-12-.
What are the key properties of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide has a molecular weight of 273.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 94833681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).