HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Tert-butyl {3-[2-(1-hydroxycyclohexyl)phenylamino]-1,1-dimethylpropyl}carbamate

HCID 86600982
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(CCNc1ccccc1C1(O)CCCCC1)NC(=O)OC(C)(C)C
InChIKey
TVZCBVKQUUWXRN-UHFFFAOYSA-N
Molecular formula
C22H36N2O3
Average molar mass
376.5 g/mol

Names & identifiers

Preferred name
Tert-butyl {3-[2-(1-hydroxycyclohexyl)phenylamino]-1,1-dimethylpropyl}carbamate
IUPAC
tert-butyl N-[4-[2-(1-hydroxycyclohexyl)anilino]-2-methylbutan-2-yl]carbamate

Names & synonyms

TVZCBVKQUUWXRN-UHFFFAOYSA-NDB-199207tert-butyl {3-[2-(1-hydroxy-cyclohexyl)-phenylamino]-1,1-dimethyl-propyl}-carbamatetert-butyl {3-[2-(1-hydroxycyclohexyl)phenylamino]-1,1-dimethylpropyl}carbamatetert-butyl{3-[2-(1-hydroxycyclohexyl)phenylamino]-1,1-dimethylpropyl}carbamate861842-16-2N-[3-[[2-(1-hydroxycyclohexyl)phenyl]amino]-1,1-dimethylpropyl]carbamic acid 1,1-dimethylethyl ester

Database identifiers

PubChem CID
86600982

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
70.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
478

Related reactions

4 records
New reaction record
HRID 98467 reaction equation
HRID 98467As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1372916 reaction equation
HRID 1372916As productuspto-grants-2007_01
HRID 1867335 reaction equation
HRID 1867335As productuspto-grants-2009_12
HRID 2223127 reaction equation
HRID 2223127As productuspto-grants-2008_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes