Chemical ID: 6486361

CCOc1ccc(cc1)C=CC(=O)NCCc2c[nH]c3c2cccc3
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

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