Chemical ID: 4090833

CC(C)(C)c1ccccc1OCC(=O)Nc2cccc(c2)C(=O)OC
Chemical ID:
4090833
Name [?]:
methyl 3-[2-(2-tert-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C20H23NO4/c1-20(2,3)16-10-5-6-11-17(16)25-13-18(22)21-15-9-7-8-14(12-15)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,7,8,18,19,17,6,9,21,12,20,16,5,10,13,22,2,15,14,23,24,11/E:(1,2,3)/rA:25nCCCCCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.37713
Area:565.274
Solvation:-4.75471
Coulombic:-48.9736
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.22
LogP (Chemaxon):4.05

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