1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide

C46H54N6O9 — CID 170704067

IUPAC1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide
SMILESCN(Cc1cccc(OCCn2ccc3ccc(C(=O)NOC4CCCCO4)cc32)c1)C(=O)CCCCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C46H54N6O9/c1-50(30-31-11-10-12-35(27-31)59-26-24-51-23-21-32-15-16-33(28-39(32)51)43(55)49-61-42-14-7-9-25-60-42)41(54)13-6-4-2-3-5-8-22-47-34-17-18-36-37(29-34)46(58)52(45(36)57)38-19-20-40(53)48-44(38)56/h10-12,15-18,21,23,27-29,38,42,47H,2-9,13-14,19-20,22,24-26,30H2,1H3,(H,49,55)(H,48,53,56)
InChIKeySSGZYMMXDYFQPQ-UHFFFAOYSA-N
MW834.97 g/mol
LogP6.11
Rot. Bonds20

About 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide

1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide (PubChem CID 170704067) has the molecular formula C46H54N6O9 and a molecular weight of 834.97 g/mol. Its IUPAC name is 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide
PubChem CID170704067
Molecular FormulaC46H54N6O9
Molecular Weight834.97 g/mol
Exact Mass834.40
IUPAC Name1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide
SMILESCN(Cc1cccc(OCCn2ccc3ccc(C(=O)NOC4CCCCO4)cc32)c1)C(=O)CCCCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C46H54N6O9/c1-50(30-31-11-10-12-35(27-31)59-26-24-51-23-21-32-15-16-33(28-39(32)51)43(55)49-61-42-14-7-9-25-60-42)41(54)13-6-4-2-3-5-8-22-47-34-17-18-36-37(29-34)46(58)52(45(36)57)38-19-20-40(53)48-44(38)56/h10-12,15-18,21,23,27-29,38,42,47H,2-9,13-14,19-20,22,24-26,30H2,1H3,(H,49,55)(H,48,53,56)
InChIKeySSGZYMMXDYFQPQ-UHFFFAOYSA-N
XLogP6.11
TPSA177.61 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.97
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide 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

1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
CID 170703851
methyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoate
CID 163374317
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]decyl carbamate
CID 175555570
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentyl carbamate
CID 175555564
N-hydroxy-1-[2-[3-[[9-[2-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]non-8-ynoyl-methylamino]methyl]phenoxy]ethyl]indole-6-carboxamide
CID 170703922
2-(2,6-dioxopiperidin-3-yl)-5-[[6-[3-(N-methylanilino)azetidin-1-yl]-6-oxohexyl]amino]isoindole-1,3-dione
CID 166994273
2-(2,6-dioxopiperidin-3-yl)-5-(6-oxoheptoxy)isoindole-1,3-dione
CID 134489038
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite
CID 169150145

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide?
The IUPAC name of 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide (CID 170704067) is 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide.
What is the SMILES notation for 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide?
The canonical SMILES for 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide is CN(Cc1cccc(OCCn2ccc3ccc(C(=O)NOC4CCCCO4)cc32)c1)C(=O)CCCCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide?
The InChIKey is SSGZYMMXDYFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N6O9/c1-50(30-31-11-10-12-35(27-31)59-26-24-51-23-21-32-15-16-33(28-39(32)51)43(55)49-61-42-14-7-9-25-60-42)41(54)13-6-4-2-3-5-8-22-47-34-17-18-36-37(29-34)46(58)52(45(36)57)38-19-20-40(53)48-44(38)56/h10-12,15-18,21,23,27-29,38,42,47H,2-9,13-14,19-20,22,24-26,30H2,1H3,(H,49,55)(H,48,53,56).
What are the key properties of 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide?
1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide has a molecular weight of 834.97 g/mol, XLogP of 6.11, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide is sourced from PubChem (CID 170704067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).