2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide

C17H24N2O3 — CID 139619483

IUPAC2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide
SMILESCC(C)(C)NC(=O)C(O)N1CCCC1C(=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)18-15(21)16(22)19-11-7-10-13(19)14(20)12-8-5-4-6-9-12/h4-6,8-9,13,16,22H,7,10-11H2,1-3H3,(H,18,21)
InChIKeyPIFMWHJTKWYSOX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide

2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide (PubChem CID 139619483) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide
PubChem CID139619483
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide
SMILESCC(C)(C)NC(=O)C(O)N1CCCC1C(=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)18-15(21)16(22)19-11-7-10-13(19)14(20)12-8-5-4-6-9-12/h4-6,8-9,13,16,22H,7,10-11H2,1-3H3,(H,18,21)
InChIKeyPIFMWHJTKWYSOX-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzoylpyrrolidin-1-yl)-2-hydroxy-N-phenylacetamide
CID 139619452
N-tert-butyl-2-[2-(3,3-dimethylbutanoyl)pyrrolidin-1-yl]-2-hydroxyacetamide
CID 139619474
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
tert-butyl N-[3-[(2S)-2-benzoylpyrrolidin-1-yl]-3-oxopropyl]carbamate
CID 126819441
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 110607613
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
CID 126824892
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide?
The IUPAC name of 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide (CID 139619483) is 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide.
What is the SMILES notation for 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide?
The canonical SMILES for 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide is CC(C)(C)NC(=O)C(O)N1CCCC1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide?
The InChIKey is PIFMWHJTKWYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)18-15(21)16(22)19-11-7-10-13(19)14(20)12-8-5-4-6-9-12/h4-6,8-9,13,16,22H,7,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide?
2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrolidin-1-yl)-N-tert-butyl-2-hydroxyacetamide is sourced from PubChem (CID 139619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).