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Chemical ID: 4208232
Chemical ID:
4208232
Name [?]:
methyl 2-[2-(2,4,6-trimethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)Nc2ccccc2C(=O)OC)C
InChi [?]:
InChI=1/C19H21NO4/c1-12-9-13(2)18(14(3)10-12)24-11-17(21)20-16-8-6-5-7-15(16)19(22)23-4/h5-10H,11H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,17,16,18,15,7,3,10,2,6,4,19,14,11,5,20,13,12,21,22,9/E:(2,3)(9,10)(13,14)/rA:24nCCCCCCCCOCCONCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8202 |
Area: | 548.541 |
Solvation: | -3.89332 |
Coulombic: | -49.4666 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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