Chemical ID: 4156950

CC(C)COC(=O)c1ccc(cc1)NC(=O)c2cc(cc(c2)OC)OC
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

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Descriptor Annotations

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