Chemical ID: 6141616

CC(C)(C)c1ccccc1OCC(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
6141616
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C20H23NO4/c1-20(2,3)15-6-4-5-7-16(15)23-12-19(22)21-11-14-8-9-17-18(10-14)25-13-24-17/h4-10H,11-13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,6,9,18,19,22,16,12,24,17,5,10,20,21,13,2,15,14,11,25,23/E:(1,2,3)/rA:25nCCCCCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.86315
Area:560.806
Solvation:-5.157
Coulombic:-46.501
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):3.81

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Descriptor Annotations

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