2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione

C25H28N2O5 — CID 42026157

IUPAC2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)cc2C1=O
InChIInChI=1S/C25H28N2O5/c1-4-5-12-27-24(29)18-10-8-16(14-20(18)25(27)30)23(28)26-13-6-7-21(26)19-11-9-17(31-2)15-22(19)32-3/h8-11,14-15,21H,4-7,12-13H2,1-3H3/t21-/m1/s1
InChIKeyLJNCICHFFLJNLF-OAQYLSRUSA-N
MW436.51 g/mol
LogP4.08
Rot. Bonds7

About 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione

2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione (PubChem CID 42026157) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
PubChem CID42026157
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)cc2C1=O
InChIInChI=1S/C25H28N2O5/c1-4-5-12-27-24(29)18-10-8-16(14-20(18)25(27)30)23(28)26-13-6-7-21(26)19-11-9-17(31-2)15-22(19)32-3/h8-11,14-15,21H,4-7,12-13H2,1-3H3/t21-/m1/s1
InChIKeyLJNCICHFFLJNLF-OAQYLSRUSA-N
XLogP4.08
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 55456062
[4-(diethylaminomethyl)phenyl]-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46430611
2-butyl-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
CID 75392247
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone
CID 42886651
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone
CID 46637064
2-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364471
2-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364468
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 51255954
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione (CID 42026157) is 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione is CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)cc2C1=O.
What is the InChIKey of 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione?
The InChIKey is LJNCICHFFLJNLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-5-12-27-24(29)18-10-8-16(14-20(18)25(27)30)23(28)26-13-6-7-21(26)19-11-9-17(31-2)15-22(19)32-3/h8-11,14-15,21H,4-7,12-13H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione?
2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione has a molecular weight of 436.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 42026157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).