Diethyl formamido[(1H-indol-3-yl)methyl]propanedioate

HCID 292164

Notes Reactions

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Basic information

CAS: 64258-95-3
Standard SMILES: CCOC(=O)C(Cc1c[nH]c2ccccc12)(NC=O)C(=O)OCC
InChIKey: ZAIGSUKBOXJYBT-UHFFFAOYSA-N
Molecular formula: C17H20N2O5
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.13722174

Names & identifiers

Preferred name: Diethyl formamido[(1H-indol-3-yl)methyl]propanedioate
IUPAC: diethyl 2-formamido-2-(1H-indol-3-ylmethyl)propanedioate

Names & synonyms

64258-95-3NSC157806SCHEMBL838321Diethyl formamido[(1H-indol-3-yl)methyl]propanedioateDTXSID90303310ZAIGSUKBOXJYBT-UHFFFAOYSA-NNSC-1578062-Formamido-3-(3-indolyl)-2-carbethoxypropionic acid ethyl ester

Database identifiers

CAS: 64258-95-3
PubChem CID: 292164
DTXSID: DTXSID90303310

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 97.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 450

Related reactions

5 records

New reaction record

HRID 127492As reactantuspto-grants-1981_03

HRID 616259As reactantuspto-grants-1978_02

HRID 1390832As productuspto-grants-1979_02

HRID 1390833As reactantuspto-grants-1979_02

HRID 1447304As reactantuspto-grants-1982_02

Compound notes

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