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

C34H53N7O11 — CID 20741646

IUPAC2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate
SMILESCC1(C)NC(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C34H53N7O11/c1-29(2)23(45)39(24(46)30(3,4)35-29)17-20(42)38(13-15-51-21(43)18-40-25(47)31(5,6)36-32(7,8)26(40)48)14-16-52-22(44)19-41-27(49)33(9,10)37-34(11,12)28(41)50/h35-37H,13-19H2,1-12H3
InChIKeyDZUFJYJRFGZPGR-UHFFFAOYSA-N
MW735.84 g/mol
LogP-1.55
Rot. Bonds12

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

2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate (PubChem CID 20741646) has the molecular formula C34H53N7O11 and a molecular weight of 735.84 g/mol. Its IUPAC name is 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Name2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate
PubChem CID20741646
Molecular FormulaC34H53N7O11
Molecular Weight735.84 g/mol
Exact Mass735.38
IUPAC Name2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate
SMILESCC1(C)NC(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C34H53N7O11/c1-29(2)23(45)39(24(46)30(3,4)35-29)17-20(42)38(13-15-51-21(43)18-40-25(47)31(5,6)36-32(7,8)26(40)48)14-16-52-22(44)19-41-27(49)33(9,10)37-34(11,12)28(41)50/h35-37H,13-19H2,1-12H3
InChIKeyDZUFJYJRFGZPGR-UHFFFAOYSA-N
XLogP-1.55
TPSA221.14 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.84
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate?
The IUPAC name of 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate (CID 20741646) is 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate?
The canonical SMILES for 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate is CC1(C)NC(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.
What is the InChIKey of 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate?
The InChIKey is DZUFJYJRFGZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N7O11/c1-29(2)23(45)39(24(46)30(3,4)35-29)17-20(42)38(13-15-51-21(43)18-40-25(47)31(5,6)36-32(7,8)26(40)48)14-16-52-22(44)19-41-27(49)33(9,10)37-34(11,12)28(41)50/h35-37H,13-19H2,1-12H3.
What are the key properties of 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate?
2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate has a molecular weight of 735.84 g/mol, XLogP of -1.55, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 20741646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).