N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C22H27N3O2 — CID 34956402

IUPACN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-24(2)20(14-17-8-4-3-5-9-17)16-23-22(27)18-10-6-11-19(15-18)25-13-7-12-21(25)26/h3-6,8-11,15,20H,7,12-14,16H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyMPKQAMZDQAIOCM-FQEVSTJZSA-N
MW365.48 g/mol
LogP2.72
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 34956402) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID34956402
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-24(2)20(14-17-8-4-3-5-9-17)16-23-22(27)18-10-6-11-19(15-18)25-13-7-12-21(25)26/h3-6,8-11,15,20H,7,12-14,16H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyMPKQAMZDQAIOCM-FQEVSTJZSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413111
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 34956402) is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MPKQAMZDQAIOCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(2)20(14-17-8-4-3-5-9-17)16-23-22(27)18-10-6-11-19(15-18)25-13-7-12-21(25)26/h3-6,8-11,15,20H,7,12-14,16H2,1-2H3,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 34956402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).