1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide

C22H26N2O2 — CID 110410559

IUPAC1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
SMILESCC(CCNC(=O)C1CCC(=O)N1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)14-15-23-22(26)20-12-13-21(25)24(20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,26)
InChIKeyUDJDBTMKBPMXAW-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.49
Rot. Bonds7

About 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide

1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide (PubChem CID 110410559) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
PubChem CID110410559
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
SMILESCC(CCNC(=O)C1CCC(=O)N1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)14-15-23-22(26)20-12-13-21(25)24(20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,26)
InChIKeyUDJDBTMKBPMXAW-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 119528811
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
CID 139329088
(2S)-2-benzyl-3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 124697374
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide (CID 110410559) is 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide is CC(CCNC(=O)C1CCC(=O)N1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is UDJDBTMKBPMXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17(19-10-6-3-7-11-19)14-15-23-22(26)20-12-13-21(25)24(20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide?
1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110410559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).