6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide

C53H62N4O6 — CID 148609180

IUPAC6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide
SMILESCC1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCC(=O)COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C53H62N4O6/c1-36-38-21-13-14-24-42(38)52(2,3)41(36)23-10-6-11-28-47-53(4,5)43-25-15-16-26-44(43)56(47)33-18-8-12-29-48(59)54-32-17-7-9-20-37(58)35-63-46-27-19-22-39-40(46)34-57(51(39)62)45-30-31-49(60)55-50(45)61/h6,10-11,13-16,19,21-28,45H,7-9,12,17-18,20,29-35H2,1-5H3,(H,54,59)(H,55,60,61)/b11-6+,23-10+,47-28-
InChIKeyNEAHKPHICGHEOH-HZJJMSNSSA-N
MW851.10 g/mol
LogP9.19
Rot. Bonds19

About 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide

6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide (PubChem CID 148609180) has the molecular formula C53H62N4O6 and a molecular weight of 851.10 g/mol. Its IUPAC name is 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide.

Molecular Properties

Compound Name6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide
PubChem CID148609180
Molecular FormulaC53H62N4O6
Molecular Weight851.10 g/mol
Exact Mass850.47
IUPAC Name6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide
SMILESCC1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCC(=O)COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C53H62N4O6/c1-36-38-21-13-14-24-42(38)52(2,3)41(36)23-10-6-11-28-47-53(4,5)43-25-15-16-26-44(43)56(47)33-18-8-12-29-48(59)54-32-17-7-9-20-37(58)35-63-46-27-19-22-39-40(46)34-57(51(39)62)45-30-31-49(60)55-50(45)61/h6,10-11,13-16,19,21-28,45H,7-9,12,17-18,20,29-35H2,1-5H3,(H,54,59)(H,55,60,61)/b11-6+,23-10+,47-28-
InChIKeyNEAHKPHICGHEOH-HZJJMSNSSA-N
XLogP9.19
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.10
LogP ≤ 59.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide 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

N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide
CID 121439768
5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N-(4-methylphenyl)pentanamide
CID 166701161
tert-butyl 7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]heptanoate
CID 171481123
tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]decanoate
CID 171481158
3-[7-(4-imino-2-oxopentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 123392251
N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147975273
3-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]amino]ethoxy]ethoxy]propanoic acid
CID 167471038
(2S)-4-[[11-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-10-oxoundecyl]amino]-2-methyl-4-oxobutanoic acid
CID 160655496
6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-methylhexanamide
CID 155279746
3-[7-[7-(cyclohexylamino)heptoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156788820
3-[7-(5-hydroxypentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165166586
12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoic acid
CID 168679816

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide?
The IUPAC name of 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide (CID 148609180) is 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide.
What is the SMILES notation for 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide?
The canonical SMILES for 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide is CC1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCC(=O)COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.
What is the InChIKey of 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide?
The InChIKey is NEAHKPHICGHEOH-HZJJMSNSSA-N. The full InChI is InChI=1S/C53H62N4O6/c1-36-38-21-13-14-24-42(38)52(2,3)41(36)23-10-6-11-28-47-53(4,5)43-25-15-16-26-44(43)56(47)33-18-8-12-29-48(59)54-32-17-7-9-20-37(58)35-63-46-27-19-22-39-40(46)34-57(51(39)62)45-30-31-49(60)55-50(45)61/h6,10-11,13-16,19,21-28,45H,7-9,12,17-18,20,29-35H2,1-5H3,(H,54,59)(H,55,60,61)/b11-6+,23-10+,47-28-.
What are the key properties of 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide?
6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide has a molecular weight of 851.10 g/mol, XLogP of 9.19, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-6-oxoheptyl]hexanamide is sourced from PubChem (CID 148609180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).