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

C19H28N2O3 — CID 5144830

IUPACN-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O3/c1-3-24-12-4-10-20-19(23)17-13-18(22)21(14-17)11-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyXGLQMMNASFJCNW-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.93
Rot. Bonds9

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

N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 5144830) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID5144830
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O3/c1-3-24-12-4-10-20-19(23)17-13-18(22)21(14-17)11-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyXGLQMMNASFJCNW-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 N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 5144830) is N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCOCCCNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XGLQMMNASFJCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-12-4-10-20-19(23)17-13-18(22)21(14-17)11-9-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-ethoxypropyl)-1-[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 N-(3-ethoxypropyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5144830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).