HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide

HCID 67368151
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCCCc1ccc(C(=O)NCCO)cc1
InChIKey
VDQVRQAXZKFZGN-UHFFFAOYSA-N
Molecular formula
C13H20N2O2
Average molar mass
236.31 g/mol
Monoisotopic mass
236.15247789

Names & identifiers

Preferred name
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide
IUPAC
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide

Database identifiers

PubChem CID
67368151

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
75.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
17
Formal charge
0
Complexity
213

Related reactions

1 records
New reaction record
HRID 801504 reaction equation
HRID 801504As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes