Chemical ID: 7025086

Cc1cccc(c1)OCC(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
7025086
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C17H17NO4/c1-12-3-2-4-14(7-12)20-10-17(19)18-9-13-5-6-15-16(8-13)22-11-21-15/h2-8H,9-11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,16,7,19,13,9,21,2,14,6,17,18,10,12,11,8,22,20/rA:22nCCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.47957
Area:516.958
Solvation:-5.44439
Coulombic:-45.443
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.01
LogP (Chemaxon):2.65

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Descriptor Annotations

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