N1,N3-Dihexylisophthalamide | SBID = 988 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H32N2O2
M / g/mol: 332.48028
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest
  • Name: N1,N3-Dihexylisophthalamide
  • Preferred Abbreviation: N,N-Dihexylisophthalamide
  • IUPAC Name:
  • CAS:
  • CID: -318
  • InChiKey: KYMPRGJJEQANIG-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H32N2O2/c1-3-5-7-9-14-21-19(23)17-12-11-13-18(16-17)20(24)22-15-10-8-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3,(H,21,23)(H,22,24)
  • CanoSmiles: CCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCC
  • IsoSmiles: O=C(NCCCCCC)C1=CC=CC(C(NCCCCCC)=O)=C1