N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide

C20H29N3O3 — CID 5309232

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C20H29N3O3/c24-19-8-7-18(23(19)12-9-17-5-2-1-3-6-17)20(25)21-10-4-11-22-13-15-26-16-14-22/h1-3,5-6,18H,4,7-16H2,(H,21,25)
InChIKeyWYJKXPQUAMCLLK-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.06
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide

N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 5309232) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID5309232
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C20H29N3O3/c24-19-8-7-18(23(19)12-9-17-5-2-1-3-6-17)20(25)21-10-4-11-22-13-15-26-16-14-22/h1-3,5-6,18H,4,7-16H2,(H,21,25)
InChIKeyWYJKXPQUAMCLLK-UHFFFAOYSA-N
XLogP1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 5309232) is N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide is O=C(NCCCN1CCOCC1)C1CCC(=O)N1CCc1ccccc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is WYJKXPQUAMCLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19-8-7-18(23(19)12-9-17-5-2-1-3-6-17)20(25)21-10-4-11-22-13-15-26-16-14-22/h1-3,5-6,18H,4,7-16H2,(H,21,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5309232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).