Basic information
- CAS
172733-43-6- Standard SMILES
CCc1c(C(=O)C(N)=O)c2c(NCC(=O)OC)cccc2n1Cc1ccccc1- InChIKey
IHOYXPKDYDIDKR-UHFFFAOYSA-N- Molecular formula
- C22H23N3O4
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.16885622
Names & identifiers
- Preferred name
- [[3-(Aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]amino]acetic acid methyl ester
- IUPAC
- methyl 2-[(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)amino]acetate
Names & synonyms
SCHEMBL2156877IHOYXPKDYDIDKR-UHFFFAOYSA-NDTXSID701127579[[3-(Aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]amino]acetic acid methyl ester172733-43-6Methyl N-{3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}glycinateGlycine, N-[3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]-, methyl ester
Database identifiers
- CAS
172733-43-6- PubChem CID
- 10691962
- DTXSID
DTXSID701127579
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Related reactions
13 records
Compound notes
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