[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate

C32H32N2O8 — CID 138527211

IUPAC[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate
SMILESCC(C)(CCCCOC(C)(C)C(=O)c1ccc(N2C(=O)C=CC2=O)cc1)OC(=O)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C32H32N2O8/c1-31(2,42-30(40)22-9-13-24(14-10-22)34-27(37)17-18-28(34)38)19-5-6-20-41-32(3,4)29(39)21-7-11-23(12-8-21)33-25(35)15-16-26(33)36/h7-18H,5-6,19-20H2,1-4H3
InChIKeyYDQLHQQQALRAIK-UHFFFAOYSA-N
MW572.61 g/mol
LogP4.33
Rot. Bonds12

About [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate

[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate (PubChem CID 138527211) has the molecular formula C32H32N2O8 and a molecular weight of 572.61 g/mol. Its IUPAC name is [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate.

Molecular Properties

Compound Name[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate
PubChem CID138527211
Molecular FormulaC32H32N2O8
Molecular Weight572.61 g/mol
Exact Mass572.22
IUPAC Name[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate
SMILESCC(C)(CCCCOC(C)(C)C(=O)c1ccc(N2C(=O)C=CC2=O)cc1)OC(=O)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C32H32N2O8/c1-31(2,42-30(40)22-9-13-24(14-10-22)34-27(37)17-18-28(34)38)19-5-6-20-41-32(3,4)29(39)21-7-11-23(12-8-21)33-25(35)15-16-26(33)36/h7-18H,5-6,19-20H2,1-4H3
InChIKeyYDQLHQQQALRAIK-UHFFFAOYSA-N
XLogP4.33
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.61
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[5-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-iodo-1-oxopropan-2-yl]oxy-2-methylpentan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 167045239
[4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylbutan-2-yl] 4-(dimethylamino)benzoate
CID 123948310
[4-(2,5-dioxopyrrol-1-yl)phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 102372975
[6-[4-(4-benzoylphenyl)sulfanyl-2-methyl-3-oxobutan-2-yl]oxy-2-methylhexan-2-yl] 2-(4-benzoylphenyl)sulfanylacetate
CID 123421093
[2,6-dibromo-4-[2-[3,5-dibromo-4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 101411593
[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]phenyl] 4-(2,5-dioxopyrrol-1-yl)benzoate
CID 138624190
1-[4-(2-hydroxyacetyl)phenyl]pyrrole-2,5-dione
CID 86218281
4-(2,5-dioxopyrrol-1-yl)benzoic acid;pyrrole-2,5-dione
CID 70630960
(2-methyl-5-phenylpentan-2-yl) benzoate
CID 118040368
[4-(2-methyloctan-2-yloxycarbonyl)phenyl] 4-methylbenzoate
CID 91549550
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
CID 170895995
1-[4-(2-chlorohexanoyl)phenyl]pyrrole-2,5-dione
CID 175322879

Frequently Asked Questions

What is the IUPAC name of [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate?
The IUPAC name of [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate (CID 138527211) is [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate.
What is the SMILES notation for [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate?
The canonical SMILES for [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate is CC(C)(CCCCOC(C)(C)C(=O)c1ccc(N2C(=O)C=CC2=O)cc1)OC(=O)c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate?
The InChIKey is YDQLHQQQALRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O8/c1-31(2,42-30(40)22-9-13-24(14-10-22)34-27(37)17-18-28(34)38)19-5-6-20-41-32(3,4)29(39)21-7-11-23(12-8-21)33-25(35)15-16-26(33)36/h7-18H,5-6,19-20H2,1-4H3.
What are the key properties of [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate?
[6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate has a molecular weight of 572.61 g/mol, XLogP of 4.33, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]-2-methyl-1-oxopropan-2-yl]oxy-2-methylhexan-2-yl] 4-(2,5-dioxopyrrol-1-yl)benzoate is sourced from PubChem (CID 138527211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).