Chemical ID: 4208232

Cc1cc(c(c(c1)C)OCC(=O)Nc2ccccc2C(=O)OC)C
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

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