1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

C34H40N2O2 — CID 172517282

IUPAC1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1-c1cc(N2CCCC2=O)c(-c2ccccc2C(C)(C)C)cc1N1CCCC1=O
InChIInChI=1S/C34H40N2O2/c1-33(2,3)27-15-9-7-13-23(27)25-21-30(36-20-12-18-32(36)38)26(22-29(25)35-19-11-17-31(35)37)24-14-8-10-16-28(24)34(4,5)6/h7-10,13-16,21-22H,11-12,17-20H2,1-6H3
InChIKeyCBCSOSDWIWLYOK-UHFFFAOYSA-N
MW508.71 g/mol
LogP7.87
Rot. Bonds4

About 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 172517282) has the molecular formula C34H40N2O2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID172517282
Molecular FormulaC34H40N2O2
Molecular Weight508.71 g/mol
Exact Mass508.31
IUPAC Name1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1-c1cc(N2CCCC2=O)c(-c2ccccc2C(C)(C)C)cc1N1CCCC1=O
InChIInChI=1S/C34H40N2O2/c1-33(2,3)27-15-9-7-13-23(27)25-21-30(36-20-12-18-32(36)38)26(22-29(25)35-19-11-17-31(35)37)24-14-8-10-16-28(24)34(4,5)6/h7-10,13-16,21-22H,11-12,17-20H2,1-6H3
InChIKeyCBCSOSDWIWLYOK-UHFFFAOYSA-N
XLogP7.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;1-(2-tert-butylphenyl)azetidin-2-one;2-methylpropan-2-olate
CID 69044513
1-[2-[2,5-dideuterio-4-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176589252
1-[3-[4-tert-butyl-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 176828076
1-(2-amino-4-tert-butylphenyl)pyrrolidin-2-one
CID 166609111
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517168
1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
CID 6918219
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168519312
1-[4-[4-(trifluoromethyl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176828115
1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517290

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (CID 172517282) is 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is CC(C)(C)c1ccccc1-c1cc(N2CCCC2=O)c(-c2ccccc2C(C)(C)C)cc1N1CCCC1=O.
What is the InChIKey of 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is CBCSOSDWIWLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O2/c1-33(2,3)27-15-9-7-13-23(27)25-21-30(36-20-12-18-32(36)38)26(22-29(25)35-19-11-17-31(35)37)24-14-8-10-16-28(24)34(4,5)6/h7-10,13-16,21-22H,11-12,17-20H2,1-6H3.
What are the key properties of 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 508.71 g/mol, XLogP of 7.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 172517282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).