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Chemical ID: 7025087
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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