N1,N3-bis(2,6-diisopropylphenyl)isophthalamide | SBID = 983 | Compound | Custom Molecule
Structure
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: | C32H40N2O2 | ||
| M / g/mol: | 484.6722 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: N1,N3-bis(2,6-diisopropylphenyl)isophthalamide
- Preferred Abbreviation: N,N-bis(diisopropylphenyl)isophthalamide
- IUPAC Name: N1,N3-bis(2,6-diisopropylphenyl)isophthalamide
- CAS:
- CID: -313
- InChiKey: LSPWEQTZHXGTHU-UHFFFAOYSA-N
- InChi: InChI=1S/C32H40N2O2/c1-19(2)25-14-10-15-26(20(3)4)29(25)33-31(35)23-12-9-13-24(18-23)32(36)34-30-27(21(5)6)16-11-17-28(30)22(7)8/h9-22H,1-8H3,(H,33,35)(H,34,36)
- CanoSmiles: CC(c1cccc(c1NC(=O)c1cccc(c1)C(=O)Nc1c(cccc1C(C)C)C(C)C)C(C)C)C
- IsoSmiles: O=C(NC1=C(C(C)C)C=CC=C1C(C)C)C2=CC(C(NC3=C(C(C)C)C=CC=C3C(C)C)=O)=CC=C2
