Basic information
- CAS
4655-99-6- Standard SMILES
CCOC(=O)C(Cc1c[nH]c2c(C)cccc12)(NC=O)C(=O)OCC- InChIKey
JPCDHQCDLASRTB-UHFFFAOYSA-N- Molecular formula
- C18H22N2O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15287181
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-(formylamino)-2-((7-methyl-1H-indol-3-yl)methyl)propanedioate
- IUPAC
- diethyl 2-formamido-2-[(7-methyl-1H-indol-3-yl)methyl]propanedioate
Names & synonyms
1,3-Diethyl 2-(formylamino)-2-[(7-methyl-1H-indol-3-yl)methyl]propanedioate4655-99-61,3-Diethyl 2-(formylamino)-2-((7-methyl-1H-indol-3-yl)methyl)propanedioateRefChem:218509DTXSID101143664Diethyl formamido[(7-methyl-1H-indol-3-yl)methyl]propanedioate
Database identifiers
- CAS
4655-99-6- PubChem CID
- 21814031
- DTXSID
DTXSID101143664
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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