ChemDB: Chemical Search
Download
Chemical ID: 6970133
Chemical ID:
6970133
Name [?]:
ethyl 4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C21H25NO4/c1-5-25-21(24)16-7-9-17(10-8-16)22-20(23)13-26-19-12-15(4)6-11-18(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,2,20,7,11,8,10,21,18,15,23,19,6,9,22,17,13,4,12,14,5,3,16/E:(2,3)(7,8)(9,10)/rA:26nCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO4 |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6854 |
Area: | 613.284 |
Solvation: | -4.64671 |
Coulombic: | -49.0812 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 355.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.43 |
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 |
---|