Chemical ID: 6721867

Cn1cc(c2c1cccc2)CCC(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
6721867
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-propanamide
SMILES [?]:
Cn1cc(c2c1cccc2)CCC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C20H20N2O3/c1-22-12-15(16-4-2-3-5-17(16)22)7-9-20(23)21-11-14-6-8-18-19(10-14)25-13-24-18/h2-6,8,10,12H,7,9,11,13H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,18,11,19,12,22,16,3,24,17,4,5,6,20,21,13,15,2,14,25,23/rA:25nCNCCCCCCCCCCCONCCCCCCCOCO/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.99041
Area:566.826
Solvation:-4.18023
Coulombic:-43.1937
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.384
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.25
LogP (Chemaxon):3.56

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Descriptor Annotations

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