N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C21H24N2O2 — CID 46414391

IUPACN-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-21(2,17-9-4-3-5-10-17)15-22-20(25)16-8-6-11-18(14-16)23-13-7-12-19(23)24/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,22,25)
InChIKeyKIWWCFQIEGHUIU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.52
Rot. Bonds5

About N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46414391) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46414391
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-21(2,17-9-4-3-5-10-17)15-22-20(25)16-8-6-11-18(14-16)23-13-7-12-19(23)24/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,22,25)
InChIKeyKIWWCFQIEGHUIU-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 109381238
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 111481911
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 46414391) is N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide is CC(C)(CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KIWWCFQIEGHUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,17-9-4-3-5-10-17)15-22-20(25)16-8-6-11-18(14-16)23-13-7-12-19(23)24/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46414391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).