N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide

C33H22N4O7 — CID 2831561

IUPACN-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(NC(C)=O)cc4)C5=O)cc3C2=O)cc1
InChIInChI=1S/C33H22N4O7/c1-17(38)34-21-5-9-23(10-6-21)36-30(41)25-13-3-19(15-27(25)32(36)43)29(40)20-4-14-26-28(16-20)33(44)37(31(26)42)24-11-7-22(8-12-24)35-18(2)39/h3-16H,1-2H3,(H,34,38)(H,35,39)
InChIKeyVHMZROUQAKVBFA-UHFFFAOYSA-N
MW586.56 g/mol
LogP4.44
Rot. Bonds6

About N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide

N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide (PubChem CID 2831561) has the molecular formula C33H22N4O7 and a molecular weight of 586.56 g/mol. Its IUPAC name is N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide
PubChem CID2831561
Molecular FormulaC33H22N4O7
Molecular Weight586.56 g/mol
Exact Mass586.15
IUPAC NameN-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(NC(C)=O)cc4)C5=O)cc3C2=O)cc1
InChIInChI=1S/C33H22N4O7/c1-17(38)34-21-5-9-23(10-6-21)36-30(41)25-13-3-19(15-27(25)32(36)43)29(40)20-4-14-26-28(16-20)33(44)37(31(26)42)24-11-7-22(8-12-24)35-18(2)39/h3-16H,1-2H3,(H,34,38)(H,35,39)
InChIKeyVHMZROUQAKVBFA-UHFFFAOYSA-N
XLogP4.44
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.56
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide 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 N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide (CID 2831561) is N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(NC(C)=O)cc4)C5=O)cc3C2=O)cc1.
What is the InChIKey of N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide?
The InChIKey is VHMZROUQAKVBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O7/c1-17(38)34-21-5-9-23(10-6-21)36-30(41)25-13-3-19(15-27(25)32(36)43)29(40)20-4-14-26-28(16-20)33(44)37(31(26)42)24-11-7-22(8-12-24)35-18(2)39/h3-16H,1-2H3,(H,34,38)(H,35,39).
What are the key properties of N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide?
N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide has a molecular weight of 586.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]acetamide is sourced from PubChem (CID 2831561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).