ChemDB: Chemical Search
Download
Chemical ID: 5922749
Chemical ID:
5922749
Name [?]:
N-isopentyl-3-(m-tolyl)-3-[1-(p-tolylmethyl)indol-3-yl]-propanamide
SMILES [?]:
Cc1ccc(cc1)Cn2cc(c3c2cccc3)C(CC(=O)NCCC(C)C)c4cccc(c4)C
InChi [?]:
InChI=1/C31H36N2O/c1-22(2)16-17-32-31(34)19-28(26-9-7-8-24(4)18-26)29-21-33(30-11-6-5-10-27(29)30)20-25-14-12-23(3)13-15-25/h5-15,18,21-22,28H,16-17,19-20H2,1-4H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:26,27,1,34,16,15,30,31,29,17,14,3,7,4,6,24,23,33,19,8,10,25,2,32,5,28,12,18,11,13,20,22,9,21/E:(1,2)(12,13)(14,15)/rA:34cCCCCCCCCNCCCCCCCCCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s20;s22;s23;s24;s25;s25;s18;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H36N2O |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 15.294 |
Area: | 742.925 |
Solvation: | -3.27911 |
Coulombic: | -30.4282 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 452.63 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.71 |
LogP (Chemaxon): | 7.9 |
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 |
---|