1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione

C32H36N2O10 — CID 118198193

IUPAC1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccc(OCC(O)COCCOCC(O)COc3ccc(N4C(=O)C(C)=C(C)C4=O)cc3)cc2)C1=O
InChIInChI=1S/C32H36N2O10/c1-19-20(2)30(38)33(29(19)37)23-5-9-27(10-6-23)43-17-25(35)15-41-13-14-42-16-26(36)18-44-28-11-7-24(8-12-28)34-31(39)21(3)22(4)32(34)40/h5-12,25-26,35-36H,13-18H2,1-4H3
InChIKeyIWVVLUCQKRMJOH-UHFFFAOYSA-N
MW608.64 g/mol
LogP2.32
Rot. Bonds15

About 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione

1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 118198193) has the molecular formula C32H36N2O10 and a molecular weight of 608.64 g/mol. Its IUPAC name is 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID118198193
Molecular FormulaC32H36N2O10
Molecular Weight608.64 g/mol
Exact Mass608.24
IUPAC Name1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccc(OCC(O)COCCOCC(O)COc3ccc(N4C(=O)C(C)=C(C)C4=O)cc3)cc2)C1=O
InChIInChI=1S/C32H36N2O10/c1-19-20(2)30(38)33(29(19)37)23-5-9-27(10-6-23)43-17-25(35)15-41-13-14-42-16-26(36)18-44-28-11-7-24(8-12-28)34-31(39)21(3)22(4)32(34)40/h5-12,25-26,35-36H,13-18H2,1-4H3
InChIKeyIWVVLUCQKRMJOH-UHFFFAOYSA-N
XLogP2.32
TPSA152.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.64
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-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-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione (CID 118198193) is 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(c2ccc(OCC(O)COCCOCC(O)COc3ccc(N4C(=O)C(C)=C(C)C4=O)cc3)cc2)C1=O.
What is the InChIKey of 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is IWVVLUCQKRMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O10/c1-19-20(2)30(38)33(29(19)37)23-5-9-27(10-6-23)43-17-25(35)15-41-13-14-42-16-26(36)18-44-28-11-7-24(8-12-28)34-31(39)21(3)22(4)32(34)40/h5-12,25-26,35-36H,13-18H2,1-4H3.
What are the key properties of 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione?
1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 608.64 g/mol, XLogP of 2.32, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 118198193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).