Basic information
- CAS
73840-20-7- Standard SMILES
CC(C)C(=O)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(=O)C(C)C- InChIKey
OAFTUJVCHZBHJF-UHFFFAOYSA-N- Molecular formula
- C18H32N2O4
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.23620751
Names & identifiers
- Preferred name
- Valeramide, N,N'-ethylenebis(3-oxo-2,2,4-trimethyl-
- IUPAC
- 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide
- English name
- N,N'-Ethylenebis(3-oxo-2,2,4-trimethylvaleramide)
- Molecular formula
- C18H32N2O4
- Molecular weight
- 340.46
Names & synonyms
BRN 2002147Valeramide, N,N'-ethylenebis(3-oxo-2,2,4-trimethyl-73840-20-7N,N'-Ethylenebis(2,2,4-trimethyl-3-oxovaleramide)DTXSID70224397RefChem:388211DTXCID70146888Valeramide, N,N'-ethylene-bis(2,2,4-trimethyl-3-oxo)-N,N'-(Ethane-1,2-diyl)bis(2,2,4-trimethyl-3-oxopentanamide)N,N'-Ethylenebis(3-oxo-2,2,4-trimethylvaleramide)N,N'-1,2-ethanediylbis(2,2,4-trimethyl-3-oxo-pentanamide)Pentanamide, N,N'-1,2-ethanediylbis[2,2,4-trimethyl-3-oxo-
Database identifiers
- CAS
73840-20-7- PubChem CID
- 522509
- DTXSID
DTXSID70224397- Nikkaji
- J93.961G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 549 · 549.0±45.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- pka
- 13.35 · 13.35±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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