N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide

C21H24N2O3 — CID 46490538

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H24N2O3/c1-2-13-26-19-6-3-5-17(14-19)21(25)22-15-16-8-10-18(11-9-16)23-12-4-7-20(23)24/h3,5-6,8-11,14H,2,4,7,12-13,15H2,1H3,(H,22,25)
InChIKeyIWTWJJSSYSEHQX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.53
Rot. Bonds7

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide (PubChem CID 46490538) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
PubChem CID46490538
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H24N2O3/c1-2-13-26-19-6-3-5-17(14-19)21(25)22-15-16-8-10-18(11-9-16)23-12-4-7-20(23)24/h3,5-6,8-11,14H,2,4,7,12-13,15H2,1H3,(H,22,25)
InChIKeyIWTWJJSSYSEHQX-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3-[methoxy(methyl)sulfamoyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589604
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111412906

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide (CID 46490538) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide?
The InChIKey is IWTWJJSSYSEHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-13-26-19-6-3-5-17(14-19)21(25)22-15-16-8-10-18(11-9-16)23-12-4-7-20(23)24/h3,5-6,8-11,14H,2,4,7,12-13,15H2,1H3,(H,22,25).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide is sourced from PubChem (CID 46490538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).