ChemDB: Chemical Search
Download
Chemical ID: 4147745
Chemical ID:
4147745
Name [?]:
butyl 4-(2,6-dimethoxybenzoyl)aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)c2c(cccc2OC)OC
InChi [?]:
InChI=1/C20H23NO5/c1-4-5-13-26-20(23)14-9-11-15(12-10-14)21-19(22)18-16(24-2)7-6-8-17(18)25-3/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,26,2,3,20,21,19,9,13,10,12,4,8,11,22,18,17,15,6,14,16,7,23,25,5/E:(2,3)(7,8)(9,10)(11,12)(16,17)(24,25)/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;s18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70638 |
Area: | 607.473 |
Solvation: | -5.48044 |
Coulombic: | -56.4654 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|