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

C20H23N3O3 — CID 7700055

IUPACN-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C(\C)CCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-3-26-18-13-11-17(12-14-18)21-19(24)20(25)23-22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-14H,3,9-10H2,1-2H3,(H,21,24)(H,23,25)/b22-15+
InChIKeyNLMGGGOVYZYKTA-PXLXIMEGSA-N
MW353.42 g/mol
LogP3.15
Rot. Bonds7

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

N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide (PubChem CID 7700055) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
PubChem CID7700055
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)N/N=C(\C)CCc2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-3-26-18-13-11-17(12-14-18)21-19(24)20(25)23-22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-14H,3,9-10H2,1-2H3,(H,21,24)(H,23,25)/b22-15+
InChIKeyNLMGGGOVYZYKTA-PXLXIMEGSA-N
XLogP3.15
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.15
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-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9179511
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3105090
N-(4-ethoxyphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135554232
N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7308891
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 5042527

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide (CID 7700055) is N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide is CCOc1ccc(NC(=O)C(=O)N/N=C(\C)CCc2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
The InChIKey is NLMGGGOVYZYKTA-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-18-13-11-17(12-14-18)21-19(24)20(25)23-22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-14H,3,9-10H2,1-2H3,(H,21,24)(H,23,25)/b22-15+.
What are the key properties of N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide has a molecular weight of 353.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide is sourced from PubChem (CID 7700055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).