Chemical ID: 7025087

Cc1cc(c(c(c1)C)OCC(=O)NCc2ccc3c(c2)OCO3)C
Chemical ID:
7025087
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(2,4,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)NCc2ccc3c(c2)OCO3)C
InChi [?]:
InChI=1/C19H21NO4/c1-12-6-13(2)19(14(3)7-12)22-10-18(21)20-9-15-4-5-16-17(8-15)24-11-23-16/h4-8H,9-11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,24,16,17,7,3,20,14,10,22,2,6,4,15,18,19,11,5,13,12,9,23,21/E:(2,3)(6,7)(13,14)/rA:24nCCCCCCCCOCCONCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.7124
Area:553.889
Solvation:-5.13483
Coulombic:-45.7144
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.374
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.46
LogP (Chemaxon):3.58

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Descriptor Annotations

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