1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C22H38N4O7 — CID 21434682

IUPAC1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(O)CN1C(=O)N(CCOCCN2C(=O)N(CC(O)CC)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C22H38N4O7/c1-7-15(27)13-25-19(31)23(17(29)21(25,3)4)9-11-33-12-10-24-18(30)22(5,6)26(20(24)32)14-16(28)8-2/h15-16,27-28H,7-14H2,1-6H3
InChIKeyYHOUJKAXVQXJGY-UHFFFAOYSA-N
MW470.57 g/mol
LogP0.63
Rot. Bonds12

About 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione

1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21434682) has the molecular formula C22H38N4O7 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21434682
Molecular FormulaC22H38N4O7
Molecular Weight470.57 g/mol
Exact Mass470.27
IUPAC Name1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(O)CN1C(=O)N(CCOCCN2C(=O)N(CC(O)CC)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C22H38N4O7/c1-7-15(27)13-25-19(31)23(17(29)21(25,3)4)9-11-33-12-10-24-18(30)22(5,6)26(20(24)32)14-16(28)8-2/h15-16,27-28H,7-14H2,1-6H3
InChIKeyYHOUJKAXVQXJGY-UHFFFAOYSA-N
XLogP0.63
TPSA130.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 21434682) is 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CCC(O)CN1C(=O)N(CCOCCN2C(=O)N(CC(O)CC)C(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YHOUJKAXVQXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O7/c1-7-15(27)13-25-19(31)23(17(29)21(25,3)4)9-11-33-12-10-24-18(30)22(5,6)26(20(24)32)14-16(28)8-2/h15-16,27-28H,7-14H2,1-6H3.
What are the key properties of 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 470.57 g/mol, XLogP of 0.63, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21434682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).