ChemDB: Chemical Search
Download
Chemical ID: 4380337
Chemical ID:
4380337
Name [?]:
ethyl 4-[3-(3-methylphenoxy)propanoylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CCOc2cccc(c2)C
InChi [?]:
InChI=1/C19H21NO4/c1-3-23-19(22)15-7-9-16(10-8-15)20-18(21)11-12-24-17-6-4-5-14(2)13-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,7,11,8,10,15,16,23,22,6,9,18,13,4,12,14,5,3,17/E:(7,8)(9,10)/rA:24nCCOCOCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8083 |
Area: | 574.466 |
Solvation: | -3.55331 |
Coulombic: | -48.5104 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.41 |
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 |
---|