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

C12H15N3O2 — CID 9120882

IUPACN'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
SMILESC/C(CCc1ccccc1)=N/NC(=O)C(N)=O
InChIInChI=1S/C12H15N3O2/c1-9(14-15-12(17)11(13)16)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,16)(H,15,17)/b14-9-
InChIKeyFMDZZZUURXSQBL-ZROIWOOFSA-N
MW233.27 g/mol
LogP0.60
Rot. Bonds4

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

N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide (PubChem CID 9120882) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
PubChem CID9120882
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
SMILESC/C(CCc1ccccc1)=N/NC(=O)C(N)=O
InChIInChI=1S/C12H15N3O2/c1-9(14-15-12(17)11(13)16)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,16)(H,15,17)/b14-9-
InChIKeyFMDZZZUURXSQBL-ZROIWOOFSA-N
XLogP0.60
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.60
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055
[(E)-4-(3-chlorophenyl)butan-2-ylideneamino]urea
CID 5380292
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
CID 579777
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3105090

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide?
The IUPAC name of N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide (CID 9120882) is N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide is C/C(CCc1ccccc1)=N/NC(=O)C(N)=O.
What is the InChIKey of N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide?
The InChIKey is FMDZZZUURXSQBL-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(14-15-12(17)11(13)16)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,16)(H,15,17)/b14-9-.
What are the key properties of N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide?
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide has a molecular weight of 233.27 g/mol, XLogP of 0.60, 4 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]oxamide is sourced from PubChem (CID 9120882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).