2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate

C36H57N7O11 — CID 59903192

IUPAC2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate
SMILESCN1C(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C36H57N7O11/c1-31(2)25(47)41(26(48)32(3,4)37-31)19-22(44)40(15-17-53-23(45)20-42-27(49)33(5,6)38(13)34(7,8)28(42)50)16-18-54-24(46)21-43-29(51)35(9,10)39(14)36(11,12)30(43)52/h37H,15-21H2,1-14H3
InChIKeyCKZOSTAAHRMCQH-UHFFFAOYSA-N
MW763.89 g/mol
LogP-0.87
Rot. Bonds12

About 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate

2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate (PubChem CID 59903192) has the molecular formula C36H57N7O11 and a molecular weight of 763.89 g/mol. Its IUPAC name is 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Name2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate
PubChem CID59903192
Molecular FormulaC36H57N7O11
Molecular Weight763.89 g/mol
Exact Mass763.41
IUPAC Name2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate
SMILESCN1C(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C36H57N7O11/c1-31(2)25(47)41(26(48)32(3,4)37-31)19-22(44)40(15-17-53-23(45)20-42-27(49)33(5,6)38(13)34(7,8)28(42)50)16-18-54-24(46)21-43-29(51)35(9,10)39(14)36(11,12)30(43)52/h37H,15-21H2,1-14H3
InChIKeyCKZOSTAAHRMCQH-UHFFFAOYSA-N
XLogP-0.87
TPSA203.56 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.89
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
The IUPAC name of 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate (CID 59903192) is 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
The canonical SMILES for 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate is CN1C(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
The InChIKey is CKZOSTAAHRMCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N7O11/c1-31(2)25(47)41(26(48)32(3,4)37-31)19-22(44)40(15-17-53-23(45)20-42-27(49)33(5,6)38(13)34(7,8)28(42)50)16-18-54-24(46)21-43-29(51)35(9,10)39(14)36(11,12)30(43)52/h37H,15-21H2,1-14H3.
What are the key properties of 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate has a molecular weight of 763.89 g/mol, XLogP of -0.87, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 59903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).