2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide

C18H24N2O4 — CID 139329088

IUPAC2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-13(2)24-11-10-19-18(23)17(22)15-8-9-16(21)20(15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyVTLLJRFPSBKKFH-OAHLLOKOSA-N
MW332.40 g/mol
LogP1.29
Rot. Bonds8

About 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 139329088) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID139329088
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-13(2)24-11-10-19-18(23)17(22)15-8-9-16(21)20(15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyVTLLJRFPSBKKFH-OAHLLOKOSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(5-methyl-4-oxohexyl)-2-oxoacetamide
CID 157240893
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
CID 139329154
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
CID 110410559
3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
CID 134349828
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide (CID 139329088) is 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is VTLLJRFPSBKKFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(2)24-11-10-19-18(23)17(22)15-8-9-16(21)20(15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide?
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 139329088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).