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Chemical ID: 6721904
Chemical ID:
6721904
Name [?]:
3-(1-methylindol-3-yl)-N-phenethyl-propanamide
SMILES [?]:
Cn1cc(c2c1cccc2)CCC(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C20H22N2O/c1-22-15-17(18-9-5-6-10-19(18)22)11-12-20(23)21-14-13-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,9,8,19,23,10,7,11,12,17,16,3,18,4,5,6,13,15,2,14/E:(3,4)(7,8)/rA:23nCNCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.073 |
Area: | 551.901 |
Solvation: | -2.72455 |
Coulombic: | -28.3328 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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