(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione

C24H30N2O2 — CID 98395221

IUPAC(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(N[C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2=O)cc1
InChIInChI=1S/C24H30N2O2/c1-3-5-7-18-9-13-20(14-10-18)25-22-17-23(27)26(24(22)28)21-15-11-19(12-16-21)8-6-4-2/h9-16,22,25H,3-8,17H2,1-2H3/t22-/m1/s1
InChIKeyHWXJUUICAMYNOE-JOCHJYFZSA-N
MW378.52 g/mol
LogP5.12
Rot. Bonds9

About (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione

(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione (PubChem CID 98395221) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
PubChem CID98395221
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(N[C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2=O)cc1
InChIInChI=1S/C24H30N2O2/c1-3-5-7-18-9-13-20(14-10-18)25-22-17-23(27)26(24(22)28)21-15-11-19(12-16-21)8-6-4-2/h9-16,22,25H,3-8,17H2,1-2H3/t22-/m1/s1
InChIKeyHWXJUUICAMYNOE-JOCHJYFZSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 138958736
3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 138958737
(3S)-1-(4-butylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrrolidine-2,5-dione
CID 51509723
3-(4-butylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 138958684
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3S)-3-(4-methylsulfanylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51659053
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
1-[4-[[4-[3-(4-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 59562100

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione (CID 98395221) is (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione is CCCCc1ccc(N[C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2=O)cc1.
What is the InChIKey of (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione?
The InChIKey is HWXJUUICAMYNOE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-5-7-18-9-13-20(14-10-18)25-22-17-23(27)26(24(22)28)21-15-11-19(12-16-21)8-6-4-2/h9-16,22,25H,3-8,17H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione has a molecular weight of 378.52 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98395221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).