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

N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide

HCID 5209933
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5216-80-8
Standard SMILES
Nc1ccccc1NC(=O)CCCCC(=O)NCc1cccc(-c2cccc(C3OC(CN4CCC(O)C4)CC(c4ccc(CO)cc4)O3)c2)c1
InChIKey
WBHYXZNCEBSQHU-UHFFFAOYSA-N
Molecular formula
C41H48N4O6
Average molar mass
692.8 g/mol
Monoisotopic mass
692.35738526

Names & identifiers

Preferred name
N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
IUPAC
N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide

Names & synonyms

5216-80-8N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamideDTXSID10410156N~1~-(2-Aminophenyl)-N~6~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]hexanediamide

Database identifiers

CAS
5216-80-8
PubChem CID
5209933
DTXSID
DTXSID10410156

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
146 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
14
Heavy atoms
51
Formal charge
0
Complexity
1,070

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

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