2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate

C22H42N4O4 — CID 70491269

IUPAC2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate
SMILESCC1(CC(=O)OCCOC(=O)CC2(C)NC(C)(C)C(C)(C)N2)NC(C)(C)C(C)(C)N1
InChIInChI=1S/C22H42N4O4/c1-17(2)18(3,4)24-21(9,23-17)13-15(27)29-11-12-30-16(28)14-22(10)25-19(5,6)20(7,8)26-22/h23-26H,11-14H2,1-10H3
InChIKeyNNCXZDAGUVUYJV-UHFFFAOYSA-N
MW426.60 g/mol
LogP1.79
Rot. Bonds7

About 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate

2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate (PubChem CID 70491269) has the molecular formula C22H42N4O4 and a molecular weight of 426.60 g/mol. Its IUPAC name is 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate.

Molecular Properties

Compound Name2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate
PubChem CID70491269
Molecular FormulaC22H42N4O4
Molecular Weight426.60 g/mol
Exact Mass426.32
IUPAC Name2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate
SMILESCC1(CC(=O)OCCOC(=O)CC2(C)NC(C)(C)C(C)(C)N2)NC(C)(C)C(C)(C)N1
InChIInChI=1S/C22H42N4O4/c1-17(2)18(3,4)24-21(9,23-17)13-15(27)29-11-12-30-16(28)14-22(10)25-19(5,6)20(7,8)26-22/h23-26H,11-14H2,1-10H3
InChIKeyNNCXZDAGUVUYJV-UHFFFAOYSA-N
XLogP1.79
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate?
The IUPAC name of 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate (CID 70491269) is 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate.
What is the SMILES notation for 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate?
The canonical SMILES for 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate is CC1(CC(=O)OCCOC(=O)CC2(C)NC(C)(C)C(C)(C)N2)NC(C)(C)C(C)(C)N1.
What is the InChIKey of 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate?
The InChIKey is NNCXZDAGUVUYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O4/c1-17(2)18(3,4)24-21(9,23-17)13-15(27)29-11-12-30-16(28)14-22(10)25-19(5,6)20(7,8)26-22/h23-26H,11-14H2,1-10H3.
What are the key properties of 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate?
2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate has a molecular weight of 426.60 g/mol, XLogP of 1.79, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetyl]oxyethyl 2-(2,4,4,5,5-pentamethylimidazolidin-2-yl)acetate is sourced from PubChem (CID 70491269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).