Chemical ID: 6721904

Cn1cc(c2c1cccc2)CCC(=O)NCCc3ccccc3
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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