Basic information
- CAS
64038-12-6- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(CC(COC(C)C)OC(N)=O)C1=O- InChIKey
RSWUEFBKBZJRRV-UHFFFAOYSA-N- Molecular formula
- C19H25N3O6
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.17433553
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-1-(2-hydroxy-3-isopropoxypropyl)-5-phenyl-, carbamate (ester)
- IUPAC
- [1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-propan-2-yloxypropan-2-yl] carbamate
- English name
- 1-[2-(Aminocarbonyloxy)-3-isopropoxypropyl]-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C19H25N3O6
- Molecular weight
- 391.42
Names & synonyms
GO 52464038-12-6BRN 0589855Barbituric acid, 5-ethyl-1-(2-hydroxy-3-isopropoxypropyl)-5-phenyl-, carbamate (ester)RefChem:320800DTXSID10982060DB-2912061-(5-Ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)-3-[(propan-2-yl)oxy]propan-2-yl hydrogen carbonimidate1-[2-(Aminocarbonyloxy)-3-isopropoxypropyl ]-5-ethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione1-[2-(Aminocarbonyloxy)-3-isopropoxypropyl]-5-ethyl-5-phenylbarbituric acid1-[2-(Aminocarbonyloxy)-3-isopropoxypropyl]-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(2H)-Pyrimidinetrione, 1-[2-[(aminocarbonyl)oxy]-3-(1-methylethoxy)propyl]-5-ethyltetrahydro-5-phenyl-
Database identifiers
- CAS
64038-12-6- PubChem CID
- 46490
- DTXSID
DTXSID10982060- Nikkaji
- J105.541K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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