2-[2-(2-diethylaminoethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxylicacid ethyl ester

HCID 49840468

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1c(C)c[nH]c1CCNCCN(CC)CC
InChIKey: OSQZRXKCNGWHBO-UHFFFAOYSA-N
Molecular formula: C16H29N3O2
Average molar mass: 295.42 g/mol

Names & identifiers

Preferred name: 2-[2-(2-diethylaminoethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxylicacid ethyl ester
IUPAC: ethyl 2-[2-[2-(diethylamino)ethylamino]ethyl]-4-methyl-1H-pyrrole-3-carboxylate

Names & synonyms

945381-59-9SCHEMBL151800OSQZRXKCNGWHBO-UHFFFAOYSA-N2-[2-(2-diethylaminoethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxylicacid ethyl esterDA-402672-[2-(2-diethylamino-ethylamino)-ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID: 49840468

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 57.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 21
Formal charge: 0
Complexity: 295

Related reactions

6 records

New reaction record

HRID 306882As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 905709As productuspto-grants-2011_09

HRID 905710As reactantuspto-grants-2011_09

HRID 1811189As productuspto-grants-2013_01

HRID 2157997As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2364981As productuspto-grants-2014_04

Compound notes

Loading…