3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C21H25N3O2 — CID 17397146

IUPAC3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(16-17-6-3-2-4-7-17)15-13-20(25)22-18-9-11-19(12-10-18)24-14-5-8-21(24)26/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,25)
InChIKeySSADWARDJJADKD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.27
Rot. Bonds7

About 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 17397146) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID17397146
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(16-17-6-3-2-4-7-17)15-13-20(25)22-18-9-11-19(12-10-18)24-14-5-8-21(24)26/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,25)
InChIKeySSADWARDJJADKD-UHFFFAOYSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8914392
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 40682745
2-[methyl(2-phenoxyethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8754909
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8615045
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 17397146) is 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is SSADWARDJJADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(16-17-6-3-2-4-7-17)15-13-20(25)22-18-9-11-19(12-10-18)24-14-5-8-21(24)26/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,25).
What are the key properties of 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 17397146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).