5-Benzoyloxy-N,N'-bis[6-(2-ethylhexanoyl)aminopyrid-2-yl]isophthalamide | SBID = 1929 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C41H48N6O6
M / g/mol: 720.856420000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: hamilton receptor, aromatic
  • Name: 5-Benzoyloxy-N,N'-bis[6-(2-ethylhexanoyl)aminopyrid-2-yl]isophthalamide
  • Preferred Abbreviation: 5-Benzoyloxy-N,N'-bis[6-(2-ethylhexanoyl)aminopyrid-2-yl]isophthalamide
  • IUPAC Name:
  • CAS:
  • CID: -834
  • InChiKey: JUBCSJHRFQSCHG-UHFFFAOYSA-N
  • InChi: InChI=1S/C41H48N6O6/c1-5-9-16-27(7-3)37(48)44-33-20-14-22-35(42-33)46-39(50)30-24-31(26-32(25-30)53-41(52)29-18-12-11-13-19-29)40(51)47-36-23-15-21-34(43-36)45-38(49)28(8-4)17-10-6-2/h11-15,18-28H,5-10,16-17H2,1-4H3,(H2,42,44,46,48,50)(H2,43,45,47,49,51)
  • CanoSmiles: CCCCC(C(=O)Nc1cccc(n1)NC(=O)c1cc(OC(=O)c2ccccc2)cc(c1)C(=O)Nc1cccc(n1)NC(=O)C(CCCC)CC)CC
  • IsoSmiles: CCCCC(CC)C(=O)Nc4cccc(NC(=O)c3cc(OC(=O)c1ccccc1)cc(C(=O)Nc2cccc(NC(=O)C(CC)CCCC)n2)c3)n4