{4-[(1H-indole-6-carbonyl)-amino]-phenyl}-acetic acid tert-butyl ester

HCID 68434833
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIKey
RLLLNUUEVXWEPU-UHFFFAOYSA-N
Molecular formula
C21H22N2O3
Average molar mass
350.4 g/mol

Names & identifiers

Preferred name
{4-[(1H-indole-6-carbonyl)-amino]-phenyl}-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[4-(1H-indole-6-carbonylamino)phenyl]acetate

Names & synonyms

SCHEMBL2904280RLLLNUUEVXWEPU-UHFFFAOYSA-N{4-[(1H-indole-6-carbonyl)-amino]-phenyl}-acetic acid tert-butyl ester

Database identifiers

PubChem CID
68434833

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
71.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
26

Related reactions

4 records
New reaction record

Compound notes

Loading…