ChemDB: Chemical Search
Download
Chemical ID: 5932343
Chemical ID:
5932343
Name [?]:
5-[(isopropyl-(m-tolylmethyl)amino)methyl]-N-phenethyl-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1)CN(Cc2ccc(o2)C(=O)NCCc3ccccc3)C(C)C
InChi [?]:
InChI=1/C25H30N2O2/c1-19(2)27(17-22-11-7-8-20(3)16-22)18-23-12-13-24(29-23)25(28)26-15-14-21-9-5-4-6-10-21/h4-13,16,19H,14-15,17-18H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:28,29,1,24,23,25,4,3,22,26,5,12,13,20,19,7,8,10,27,2,21,6,11,14,16,18,9,17,15/E:(1,2)(5,6)(9,10)/rA:29cCCCCCCCCNCCCCCOCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s9;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.167 |
Area: | 659.365 |
Solvation: | -3.31712 |
Coulombic: | -38.7737 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|