N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C18H26N2O3 — CID 4129844

IUPACN-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-2-23-12-6-10-19-18(22)16-13-17(21)20(14-16)11-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyXBADXOCPYJGILD-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.62
Rot. Bonds9

About N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4129844) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4129844
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-2-23-12-6-10-19-18(22)16-13-17(21)20(14-16)11-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyXBADXOCPYJGILD-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4129844) is N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CCOCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XBADXOCPYJGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-23-12-6-10-19-18(22)16-13-17(21)20(14-16)11-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,22).
What are the key properties of N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4129844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).