1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate
Basic information
- CAS
5379-97-5- Standard SMILES
CCOC(=O)C(Cc1c[nH]c2ccccc12)(NC(C)=O)C(=O)OCC- InChIKey
MTHSUWOVPABBJP-UHFFFAOYSA-N- Molecular formula
- C18H22N2O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15287181
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
Names & synonyms
Propanedioic acid, (acetylamino)(1H-indol-3-ylmethyl)-, diethyl ester5379-97-5DTXSID10202073RefChem:1052830DTXCID101245641,3-Diethyl 2-(acetylamino)-2-(1H-indol-3-ylmethyl)propanedioateBRN 0338581NSC28328Diethyl (acetylamino)(1H-indol-3-ylmethyl)propanedioate4-22-00-06882 (Beilstein Handbook Reference)SCHEMBL13911074NSC 28328
Show more names
NSC-28328N-acetyl-alpha,alpha-di(ethoxycarbonyl)tryptamineDiethyl acetamido[(1H-indol-3-yl)methyl]propanedioate
Database identifiers
- CAS
5379-97-5- PubChem CID
- 95661
- DTXSID
DTXSID10202073- Nikkaji
- J28.026G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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