Basic information
- CAS
106649-71-2- Standard SMILES
CCN(CC)C(=O)C1CC[C@H]2[C@@H]3CC=C4N(OC)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
DYDCSACBLWQNAH-LCGFWRJVSA-N- Molecular formula
- C24H38N2O3
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.28824308
Names & identifiers
- Preferred name
- N,N-Diethyl-4-methoxy-3-oxo-4-aza-5-androstene-17-carboxamide
- IUPAC
- (3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6-methoxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
- English name
- N,N-diethyl-4-methoxy-3-oxo-4-aza-5-androstene-17-carboxamide
- Molecular formula
- C24H38N2O3
- Molecular weight
- 402.57
Names & synonyms
Nndoaac106649-71-2N,N-Diethyl-4-methoxy-3-oxo-4-aza-5-androstene-17-carboxamideRefChem:161165DTXSID50910069(4aR,4bS,6aS,9aS,9bS)-N,N-Diethyl-1-methoxy-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamideN,N-Diethyl-1-methoxy-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide1H-Indeno[5,4-f]quinoline-7-carboxamide, N,N-diethyl-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1-methoxy-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)-
Database identifiers
- CAS
106649-71-2- PubChem CID
- 147100
- DTXSID
DTXSID50910069
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 715
Physicochemical properties
- Boiling point
- 515.3 · 515.3±60.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- -0.53 · -0.53±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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