3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide

C21H24N2O3 — CID 94108280

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1cccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-9-3-6-16(12-19)14-22-21(25)17-7-4-8-18(13-17)23-11-5-10-20(23)24/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,22,25)
InChIKeyMUXNQJLUGIQERS-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.53
Rot. Bonds6

About 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 94108280) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID94108280
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1cccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-9-3-6-16(12-19)14-22-21(25)17-7-4-8-18(13-17)23-11-5-10-20(23)24/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,22,25)
InChIKeyMUXNQJLUGIQERS-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 95967526
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 8826557
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 109381238

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide (CID 94108280) is 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide is CC(C)Oc1cccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is MUXNQJLUGIQERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-19-9-3-6-16(12-19)14-22-21(25)17-7-4-8-18(13-17)23-11-5-10-20(23)24/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 94108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).