ChemDB: Chemical Search
Download
Chemical ID: 6399028
Chemical ID:
6399028
Name [?]:
ethyl 2-(2-methoxybenzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)c2ccccc2OC
InChi [?]:
InChI=1/C17H17NO4/c1-3-22-17(20)12-8-4-6-10-14(12)18-16(19)13-9-5-7-11-15(13)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,2,8,17,9,18,7,16,10,19,6,15,11,20,13,4,12,14,5,21,3/rA:22nCCOCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35488 |
Area: | 499.469 |
Solvation: | -4.13184 |
Coulombic: | -49.1492 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.39 |
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 |
---|