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Chemical ID: 7270470
Chemical ID:
7270470
Name [?]:
2-(2-allyl-4-methoxy-phenoxy)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2ccc(cc2CC=C)OC
InChi [?]:
InChI=1/C19H21NO3/c1-4-5-15-12-17(22-3)10-11-18(15)23-13-19(21)20-16-8-6-14(2)7-9-16/h4,6-12H,1,5,13H2,2-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,1,23,20,19,3,7,4,6,15,14,17,11,2,18,5,16,13,9,8,10,22,12/E:(6,7)(8,9)/rA:23nCCCCCCCNCOCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO3 |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20199 |
Area: | 545.803 |
Solvation: | -5.44308 |
Coulombic: | -36.8158 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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