N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

C18H22N4O4 — CID 6889014

IUPACN-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)NC1CC1
InChIInChI=1S/C18H22N4O4/c23-16(22-9-1-2-10-22)12-26-15-7-3-13(4-8-15)11-19-21-18(25)17(24)20-14-5-6-14/h3-4,7-8,11,14H,1-2,5-6,9-10,12H2,(H,20,24)(H,21,25)/b19-11+
InChIKeyVEKZPPSTGFGOTL-YBFXNURJSA-N
MW358.40 g/mol
LogP0.42
Rot. Bonds6

About N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (PubChem CID 6889014) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
PubChem CID6889014
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)NC1CC1
InChIInChI=1S/C18H22N4O4/c23-16(22-9-1-2-10-22)12-26-15-7-3-13(4-8-15)11-19-21-18(25)17(24)20-14-5-6-14/h3-4,7-8,11,14H,1-2,5-6,9-10,12H2,(H,20,24)(H,21,25)/b19-11+
InChIKeyVEKZPPSTGFGOTL-YBFXNURJSA-N
XLogP0.42
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (CID 6889014) is N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is VEKZPPSTGFGOTL-YBFXNURJSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-16(22-9-1-2-10-22)12-26-15-7-3-13(4-8-15)11-19-21-18(25)17(24)20-14-5-6-14/h3-4,7-8,11,14H,1-2,5-6,9-10,12H2,(H,20,24)(H,21,25)/b19-11+.
What are the key properties of N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 358.40 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 6889014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).