N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide

C32H32N6O6 — CID 162657608

IUPACN-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C32H32N6O6/c33-22-8-3-4-9-23(22)36-29(41)19-12-14-20(15-13-19)35-26(39)11-2-1-5-18-34-24-10-6-7-21-28(24)32(44)38(31(21)43)25-16-17-27(40)37-30(25)42/h3-4,6-10,12-15,25,34H,1-2,5,11,16-18,33H2,(H,35,39)(H,36,41)(H,37,40,42)
InChIKeyPZFYWPRLDKIIHM-UHFFFAOYSA-N
MW596.64 g/mol
LogP3.53
Rot. Bonds11

About N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide

N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide (PubChem CID 162657608) has the molecular formula C32H32N6O6 and a molecular weight of 596.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide
PubChem CID162657608
Molecular FormulaC32H32N6O6
Molecular Weight596.64 g/mol
Exact Mass596.24
IUPAC NameN-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C32H32N6O6/c33-22-8-3-4-9-23(22)36-29(41)19-12-14-20(15-13-19)35-26(39)11-2-1-5-18-34-24-10-6-7-21-28(24)32(44)38(31(21)43)25-16-17-27(40)37-30(25)42/h3-4,6-10,12-15,25,34H,1-2,5,11,16-18,33H2,(H,35,39)(H,36,41)(H,37,40,42)
InChIKeyPZFYWPRLDKIIHM-UHFFFAOYSA-N
XLogP3.53
TPSA179.80 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.64
LogP ≤ 53.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide (CID 162657608) is N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide is Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide?
The InChIKey is PZFYWPRLDKIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O6/c33-22-8-3-4-9-23(22)36-29(41)19-12-14-20(15-13-19)35-26(39)11-2-1-5-18-34-24-10-6-7-21-28(24)32(44)38(31(21)43)25-16-17-27(40)37-30(25)42/h3-4,6-10,12-15,25,34H,1-2,5,11,16-18,33H2,(H,35,39)(H,36,41)(H,37,40,42).
What are the key properties of N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide?
N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide has a molecular weight of 596.64 g/mol, XLogP of 3.53, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide is sourced from PubChem (CID 162657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).