N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

C20H25IN4O5 — CID 126270951

IUPACN-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)N1CCCC1
InChIInChI=1S/C20H25IN4O5/c1-2-29-16-10-13(11-22-24-20(28)19(27)23-14-5-6-14)9-15(21)18(16)30-12-17(26)25-7-3-4-8-25/h9-11,14H,2-8,12H2,1H3,(H,23,27)(H,24,28)/b22-11-
InChIKeyQFKXMTORGPJHDP-JJFYIABZSA-N
MW528.35 g/mol
LogP1.42
Rot. Bonds8

About N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (PubChem CID 126270951) has the molecular formula C20H25IN4O5 and a molecular weight of 528.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
PubChem CID126270951
Molecular FormulaC20H25IN4O5
Molecular Weight528.35 g/mol
Exact Mass528.09
IUPAC NameN-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)N1CCCC1
InChIInChI=1S/C20H25IN4O5/c1-2-29-16-10-13(11-22-24-20(28)19(27)23-14-5-6-14)9-15(21)18(16)30-12-17(26)25-7-3-4-8-25/h9-11,14H,2-8,12H2,1H3,(H,23,27)(H,24,28)/b22-11-
InChIKeyQFKXMTORGPJHDP-JJFYIABZSA-N
XLogP1.42
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267752
N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126161018
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
CID 137048193
N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide
CID 126158329
N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8989357
N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931721
2-[4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 8990084
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
N-benzyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126165638

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (CID 126270951) is N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is CCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)N1CCCC1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is QFKXMTORGPJHDP-JJFYIABZSA-N. The full InChI is InChI=1S/C20H25IN4O5/c1-2-29-16-10-13(11-22-24-20(28)19(27)23-14-5-6-14)9-15(21)18(16)30-12-17(26)25-7-3-4-8-25/h9-11,14H,2-8,12H2,1H3,(H,23,27)(H,24,28)/b22-11-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 528.35 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126270951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).