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Chemical ID: 6028129
Chemical ID:
6028129
Name [?]:
N-butyl-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-propanamide
SMILES [?]:
CCCCNC(=O)CC(c1cc(cc(c1)OC)OC)c2c[nH]c3c2cccc3CC
InChi [?]:
InChI=1/C25H32N2O3/c1-5-7-11-26-24(28)15-22(18-12-19(29-3)14-20(13-18)30-4)23-16-27-25-17(6-2)9-8-10-21(23)25/h8-10,12-14,16,22,27H,5-7,11,15H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,17,19,2,29,3,26,27,25,4,15,11,13,8,21,28,10,14,12,24,9,20,6,23,5,22,7,16,18/E:(3,4)(12,13)(19,20)(29,30)/rA:30cCCCCNCOCCCCCCCCOCOCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s12;s18;s9;d20;s21;s22;s20s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5337 |
Area: | 672.876 |
Solvation: | -5.28819 |
Coulombic: | -46.6355 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 408.533 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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