1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26N2O2 — CID 17396518

IUPAC1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)18-11-7-8-12-19(18)23-21(26)17-13-20(25)24(15-17)14-16-9-5-4-6-10-16/h4-12,17H,13-15H2,1-3H3,(H,23,26)
InChIKeyGAEJLEQTAHTECO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.97
Rot. Bonds4

About 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17396518) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17396518
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)18-11-7-8-12-19(18)23-21(26)17-13-20(25)24(15-17)14-16-9-5-4-6-10-16/h4-12,17H,13-15H2,1-3H3,(H,23,26)
InChIKeyGAEJLEQTAHTECO-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184135
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24514266
1-benzyl-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545680
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17396518) is 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GAEJLEQTAHTECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)18-11-7-8-12-19(18)23-21(26)17-13-20(25)24(15-17)14-16-9-5-4-6-10-16/h4-12,17H,13-15H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17396518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).