N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide

C16H20N4O4 — CID 9120802

IUPACN'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H20N4O4/c1-11(18-19-16(23)15(17)22)12-4-6-13(7-5-12)24-10-14(21)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3,(H2,17,22)(H,19,23)/b18-11-
InChIKeyMMKBTMQLZMIESH-WQRHYEAKSA-N
MW332.36 g/mol
LogP0.01
Rot. Bonds5

About N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide

N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide (PubChem CID 9120802) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
PubChem CID9120802
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H20N4O4/c1-11(18-19-16(23)15(17)22)12-4-6-13(7-5-12)24-10-14(21)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3,(H2,17,22)(H,19,23)/b18-11-
InChIKeyMMKBTMQLZMIESH-WQRHYEAKSA-N
XLogP0.01
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
CID 9235557
N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015535
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]thiourea
CID 9121962
N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
CID 9120798
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenoxy]-1-piperidin-1-ylethanone
CID 9058315
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
CID 9242424
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
3-nitro-4-[(2Z)-2-[1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylidene]hydrazinyl]benzenesulfonamide
CID 6217521
1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine
CID 168605232

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide (CID 9120802) is N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide is C/C(=N/NC(=O)C(N)=O)c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide?
The InChIKey is MMKBTMQLZMIESH-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-11(18-19-16(23)15(17)22)12-4-6-13(7-5-12)24-10-14(21)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3,(H2,17,22)(H,19,23)/b18-11-.
What are the key properties of N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide?
N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide has a molecular weight of 332.36 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 9120802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).