N1,N3-bis(4-(dimethylamino)-2,6-diisopropylphenyl)isophthalamide | SBID = 990 | 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: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C36H50N4O2 | ||
| M / g/mol: | 570.8078 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: N1,N3-bis(4-(dimethylamino)-2,6-diisopropylphenyl)isophthalamide
- Preferred Abbreviation: N,N-Bis(dimethylamino)-2,6-diisopropylphenyl)isophthalamide
- IUPAC Name:
- CAS:
- CID: -320
- InChiKey: NSXXFPSCNFZDPW-UHFFFAOYSA-N
- InChi: InChI=1S/C36H50N4O2/c1-21(2)29-17-27(39(9)10)18-30(22(3)4)33(29)37-35(41)25-14-13-15-26(16-25)36(42)38-34-31(23(5)6)19-28(40(11)12)20-32(34)24(7)8/h13-24H,1-12H3,(H,37,41)(H,38,42)
- CanoSmiles: CC(c1cc(cc(c1NC(=O)c1cccc(c1)C(=O)Nc1c(cc(cc1C(C)C)N(C)C)C(C)C)C(C)C)N(C)C)C
- IsoSmiles: O=C(NC1=C(C(C)C)C=C(N(C)C)C=C1C(C)C)C2=CC=CC(C(NC3=C(C(C)C)C=C(N(C)C)C=C3C(C)C)=O)=C2
