1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H28N2O3 — CID 3240267

IUPAC1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCCN1CC(C(=O)NCCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C19H28N2O3/c1-3-24-12-4-11-21-14-17(13-18(21)22)19(23)20-10-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyUEOGBBLNWYEOOJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.93
Rot. Bonds9

About 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3240267) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3240267
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCCN1CC(C(=O)NCCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C19H28N2O3/c1-3-24-12-4-11-21-14-17(13-18(21)22)19(23)20-10-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyUEOGBBLNWYEOOJ-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.93
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)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3240267) is 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCOCCCN1CC(C(=O)NCCc2ccc(C)cc2)CC1=O.
What is the InChIKey of 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UEOGBBLNWYEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-12-4-11-21-14-17(13-18(21)22)19(23)20-10-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3240267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).