4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

C21H24N2O4 — CID 43971041

IUPAC4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(OCC)cc3)C2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-26-18-9-5-15(6-10-18)21(25)22-16-13-20(24)23(14-16)17-7-11-19(12-8-17)27-4-2/h5-12,16H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyPKZRCHXQRPKATI-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.02
Rot. Bonds7

About 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 43971041) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID43971041
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(OCC)cc3)C2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-26-18-9-5-15(6-10-18)21(25)22-16-13-20(24)23(14-16)17-7-11-19(12-8-17)27-4-2/h5-12,16H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyPKZRCHXQRPKATI-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7548914
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 16822230
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255304
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546724
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 43971041) is 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is CCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(OCC)cc3)C2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is PKZRCHXQRPKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-18-9-5-15(6-10-18)21(25)22-16-13-20(24)23(14-16)17-7-11-19(12-8-17)27-4-2/h5-12,16H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 43971041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).