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Chemical ID: 6486361
Chemical ID:
6486361
Name [?]:
3-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)NCCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C21H22N2O2/c1-2-25-18-10-7-16(8-11-18)9-12-21(24)22-14-13-17-15-23-20-6-4-3-5-19(17)20/h3-12,15,23H,2,13-14H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,6,8,10,5,9,11,16,15,18,7,17,4,21,20,12,14,19,13,3/E:(7,8)(10,11)/rA:25nCCOCCCCCCCCCONCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;s15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2914 |
Area: | 575.406 |
Solvation: | -4.09372 |
Coulombic: | -40.9102 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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