2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide

C16H20N2O4 — CID 154608643

IUPAC2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide
SMILESCC(C)ONC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H20N2O4/c1-10(2)22-18-16(21)14(19)13-9-17-15(20)12(13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,20)(H,18,21)/t12-,13+/m1/s1
InChIKeyQRAUVDKTHIOSFC-OLZOCXBDSA-N
MW304.35 g/mol
LogP0.62
Rot. Bonds6

About 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide

2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide (PubChem CID 154608643) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide
PubChem CID154608643
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide
SMILESCC(C)ONC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H20N2O4/c1-10(2)22-18-16(21)14(19)13-9-17-15(20)12(13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,20)(H,18,21)/t12-,13+/m1/s1
InChIKeyQRAUVDKTHIOSFC-OLZOCXBDSA-N
XLogP0.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-4-ethylpyrrolidin-2-one;ethane
CID 142181453
2-[(3S,4S)-4-benzyl-2-oxopyrrolidin-3-yl]acetamide
CID 132539583
benzyl (3S)-4-(2-chloro-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 141279913
(4S)-4-amino-3-benzylpiperidin-2-one
CID 70085513
(3R)-4-benzyl-3-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]pyrrolidin-2-one
CID 156788011
N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
CID 138523583
4-[[(3S)-4-methyl-2-oxopyrrolidin-3-yl]methyl]benzoic acid
CID 141316015
ethyl (3S,4S)-4-benzyl-5-oxooxolane-3-carboxylate
CID 102287301
(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 141420654
tert-butyl N-[(3R)-6-benzyl-2-oxoazepan-3-yl]carbamate
CID 23657247
(3R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-methylpropanoyl]pyrrolidin-2-one
CID 156788005
N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
CID 166850917

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide (CID 154608643) is 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide is CC(C)ONC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide?
The InChIKey is QRAUVDKTHIOSFC-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(2)22-18-16(21)14(19)13-9-17-15(20)12(13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,20)(H,18,21)/t12-,13+/m1/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide?
2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide has a molecular weight of 304.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide is sourced from PubChem (CID 154608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).