1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone

C21H24N2O2 — CID 110607613

IUPAC1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCCC1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-22(2)19(16-10-5-3-6-11-16)21(25)23-15-9-14-18(23)20(24)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14-15H2,1-2H3
InChIKeyJCTSXGGZBAEQFW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone

1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone (PubChem CID 110607613) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone
PubChem CID110607613
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCCC1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-22(2)19(16-10-5-3-6-11-16)21(25)23-15-9-14-18(23)20(24)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14-15H2,1-2H3
InChIKeyJCTSXGGZBAEQFW-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[4-[[1-[(2S)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 118691640
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768646
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[[N-[[4-[[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 46927909
1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]pyrrolidine-2-carboxamide
CID 143971236
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
The IUPAC name of 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone (CID 110607613) is 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone.
What is the SMILES notation for 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
The canonical SMILES for 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone is CN(C)C(C(=O)N1CCCC1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
The InChIKey is JCTSXGGZBAEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22(2)19(16-10-5-3-6-11-16)21(25)23-15-9-14-18(23)20(24)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14-15H2,1-2H3.
What are the key properties of 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone?
1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone has a molecular weight of 336.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone is sourced from PubChem (CID 110607613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).