2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

C20H34N4O6 — CID 3288808

IUPAC2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
SMILESCCCN1C(=O)N(CCC)C2OC(C3OC4C(O3)N(CCC)C(=O)N4CCC)OC21
InChIInChI=1S/C20H34N4O6/c1-5-9-21-13-14(22(10-6-2)19(21)25)28-17(27-13)18-29-15-16(30-18)24(12-8-4)20(26)23(15)11-7-3/h13-18H,5-12H2,1-4H3
InChIKeyRKQVOLXFUVJGCI-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.15
Rot. Bonds9

About 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (PubChem CID 3288808) has the molecular formula C20H34N4O6 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.

Molecular Properties

Compound Name2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
PubChem CID3288808
Molecular FormulaC20H34N4O6
Molecular Weight426.51 g/mol
Exact Mass426.25
IUPAC Name2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
SMILESCCCN1C(=O)N(CCC)C2OC(C3OC4C(O3)N(CCC)C(=O)N4CCC)OC21
InChIInChI=1S/C20H34N4O6/c1-5-9-21-13-14(22(10-6-2)19(21)25)28-17(27-13)18-29-15-16(30-18)24(12-8-4)20(26)23(15)11-7-3/h13-18H,5-12H2,1-4H3
InChIKeyRKQVOLXFUVJGCI-UHFFFAOYSA-N
XLogP2.15
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The IUPAC name of 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (CID 3288808) is 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.
What is the SMILES notation for 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The canonical SMILES for 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is CCCN1C(=O)N(CCC)C2OC(C3OC4C(O3)N(CCC)C(=O)N4CCC)OC21.
What is the InChIKey of 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The InChIKey is RKQVOLXFUVJGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O6/c1-5-9-21-13-14(22(10-6-2)19(21)25)28-17(27-13)18-29-15-16(30-18)24(12-8-4)20(26)23(15)11-7-3/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one has a molecular weight of 426.51 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is sourced from PubChem (CID 3288808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).