1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C30H36N2O6 — CID 3087707

IUPAC1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(CCCCN3C(=O)CC(c4ccc(OC(C)C)cc4)C3=O)C2=O)cc1
InChIInChI=1S/C30H36N2O6/c1-19(2)37-23-11-7-21(8-12-23)25-17-27(33)31(29(25)35)15-5-6-16-32-28(34)18-26(30(32)36)22-9-13-24(14-10-22)38-20(3)4/h7-14,19-20,25-26H,5-6,15-18H2,1-4H3
InChIKeyYZCCVWIPTCYSGU-UHFFFAOYSA-N
MW520.63 g/mol
LogP4.43
Rot. Bonds11

About 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3087707) has the molecular formula C30H36N2O6 and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID3087707
Molecular FormulaC30H36N2O6
Molecular Weight520.63 g/mol
Exact Mass520.26
IUPAC Name1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(CCCCN3C(=O)CC(c4ccc(OC(C)C)cc4)C3=O)C2=O)cc1
InChIInChI=1S/C30H36N2O6/c1-19(2)37-23-11-7-21(8-12-23)25-17-27(33)31(29(25)35)15-5-6-16-32-28(34)18-26(30(32)36)22-9-13-24(14-10-22)38-20(3)4/h7-14,19-20,25-26H,5-6,15-18H2,1-4H3
InChIKeyYZCCVWIPTCYSGU-UHFFFAOYSA-N
XLogP4.43
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 3087707) is 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is CC(C)Oc1ccc(C2CC(=O)N(CCCCN3C(=O)CC(c4ccc(OC(C)C)cc4)C3=O)C2=O)cc1.
What is the InChIKey of 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is YZCCVWIPTCYSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O6/c1-19(2)37-23-11-7-21(8-12-23)25-17-27(33)31(29(25)35)15-5-6-16-32-28(34)18-26(30(32)36)22-9-13-24(14-10-22)38-20(3)4/h7-14,19-20,25-26H,5-6,15-18H2,1-4H3.
What are the key properties of 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 520.63 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3087707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).