1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione

C25H31NO2 — CID 118410529

IUPAC1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C(C)C(C(CC(C)c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H31NO2/c1-4-5-16-26-24(27)19(3)23(25(26)28)22(21-14-10-7-11-15-21)17-18(2)20-12-8-6-9-13-20/h6-15,18-19,22-23H,4-5,16-17H2,1-3H3
InChIKeyPXTBGIXAKXNVFK-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.39
Rot. Bonds8

About 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione

1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 118410529) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione
PubChem CID118410529
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C(C)C(C(CC(C)c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H31NO2/c1-4-5-16-26-24(27)19(3)23(25(26)28)22(21-14-10-7-11-15-21)17-18(2)20-12-8-6-9-13-20/h6-15,18-19,22-23H,4-5,16-17H2,1-3H3
InChIKeyPXTBGIXAKXNVFK-UHFFFAOYSA-N
XLogP5.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione (CID 118410529) is 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione is CCCCN1C(=O)C(C)C(C(CC(C)c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is PXTBGIXAKXNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-4-5-16-26-24(27)19(3)23(25(26)28)22(21-14-10-7-11-15-21)17-18(2)20-12-8-6-9-13-20/h6-15,18-19,22-23H,4-5,16-17H2,1-3H3.
What are the key properties of 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione?
1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 377.53 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 118410529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).