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Chemical ID: 4156950
Chemical ID:
4156950
Name [?]:
isobutyl 4-(3,5-dimethoxybenzoyl)aminobenzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)NC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C20H23NO5/c1-13(2)12-26-20(23)14-5-7-16(8-6-14)21-19(22)15-9-17(24-3)11-18(10-15)25-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,24,26,9,13,10,12,22,18,20,4,2,8,17,11,21,19,15,6,14,16,7,23,25,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(17,18)(24,25)/rA:26nCCCCOCOCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94678 |
Area: | 603.041 |
Solvation: | -5.12924 |
Coulombic: | -55.6925 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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