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Chemical ID: 6354108
Chemical ID:
6354108
Name [?]:
butyl 4-(2,4-dimethoxybenzoyl)aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C20H23NO5/c1-4-5-12-26-20(23)14-6-8-15(9-7-14)21-19(22)17-11-10-16(24-2)13-18(17)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,2,3,9,13,10,12,19,18,4,21,8,11,20,17,22,15,6,14,16,7,25,23,5/E:(6,7)(8,9)/rA:26nCCCCOCOCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3948 |
Area: | 605.091 |
Solvation: | -5.73249 |
Coulombic: | -55.1524 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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