4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C21H24N2O3 — CID 3240949

IUPAC4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-12-8-17(9-13-19)21(25)23(15-22-14-4-5-20(22)24)18-10-6-16(2)7-11-18/h6-13H,3-5,14-15H2,1-2H3
InChIKeyBRCNVRKQGYRSMZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.62
Rot. Bonds6

About 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 3240949) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID3240949
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-12-8-17(9-13-19)21(25)23(15-22-14-4-5-20(22)24)18-10-6-16(2)7-11-18/h6-13H,3-5,14-15H2,1-2H3
InChIKeyBRCNVRKQGYRSMZ-UHFFFAOYSA-N
XLogP3.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 3240949) is 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is BRCNVRKQGYRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-19-12-8-17(9-13-19)21(25)23(15-22-14-4-5-20(22)24)18-10-6-16(2)7-11-18/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 3240949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).