[Synonyms]
Oprea1_159027
[Structure]
![Oprea1_159027 N-[4-(furan-2-carbonylamino)-2,,5-dimethoxyphenyl]-N'-(3](/file/upload/dataimg/114/1139122.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(furan-2-carbonylamino)-2,
5-dimethoxyphenyl]-N'-(3-methylphenyl)butanediamide
Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CO3)OC
InChI: InChI=1/C24H25N3O6/c1-15-6-4-7-16(12-15)25-22(28)9-10-23(29)26-17-13-21
(32-3)18(14-20(17)31-2)27-24(30)19-8-5-11-33-19/h4-8,11-14H,9-10H2,
1-3H3,(H,25,28)(H,26,29)(H,27,30)/f/h25-27H
Oprea1_159027
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 451.4718 [g/mol] |
| Molecular Formula | C24H25N3O6 |
| XLogP | 1.5 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 9 |
| Tautomer Count | 8 |
| Exact Mass | 451.174336 |
| MonoIsotopic Mass | 451.174336 |
| Topological Polar Surface Area | 119 |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 675 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(furan-2-carbonylamino)-2,
5-dimethoxyphenyl]-N'-(3-methylphenyl)butanediamide
Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CO3)OC
InChI: InChI=1/C24H25N3O6/c1-15-6-4-7-16(12-15)25-22(28)9-10-23(29)26-17-13-21
(32-3)18(14-20(17)31-2)27-24(30)19-8-5-11-33-19/h4-8,11-14H,9-10H2,
1-3H3,(H,25,28)(H,26,29)(H,27,30)/f/h25-27H
