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

C18H26N2O3 — CID 3245966

IUPAC1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCOCCCN1CC(C(=O)NCCc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-2-23-12-6-11-20-14-16(13-17(20)21)18(22)19-10-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyJEOOGVVBDXIZQT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.62
Rot. Bonds9

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

1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 3245966) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID3245966
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCOCCCN1CC(C(=O)NCCc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-2-23-12-6-11-20-14-16(13-17(20)21)18(22)19-10-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,22)
InChIKeyJEOOGVVBDXIZQT-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 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 3245966) is 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is CCOCCCN1CC(C(=O)NCCc2ccccc2)CC1=O.
What is the InChIKey of 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is JEOOGVVBDXIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-23-12-6-11-20-14-16(13-17(20)21)18(22)19-10-9-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,22).
What are the key properties of 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
1-(3-ethoxypropyl)-5-oxo-N-(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 1-(3-ethoxypropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3245966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).