Chemical ID: 7249713

c1ccc2c(c1)c(c[nH]2)CCCC(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
7249713
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-4-(1H-indol-3-yl)butanamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCCC(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C20H20N2O3/c23-20(22-11-14-8-9-18-19(10-14)25-13-24-18)7-3-4-15-12-21-17-6-2-1-5-16(15)17/h1-2,5-6,8-10,12,21H,3-4,7,11,13H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,6,3,12,18,19,22,16,8,24,17,7,5,4,20,21,13,9,15,14,25,23/rA:25nCCCCCCCCNCCCCONCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;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:10.0476
Area:573.053
Solvation:-4.27876
Coulombic:-48.4936
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.384
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.3
LogP (Chemaxon):3.71

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Descriptor Annotations

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