ChemDB: Chemical Search
Download
Chemical ID: 7499911
Chemical ID:
7499911
Name [?]:
2-[2-(4-ethylphenoxy)propanoylamino]-N-phenethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)OC(C)C(=O)Nc2ccccc2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C26H28N2O3/c1-3-20-13-15-22(16-14-20)31-19(2)25(29)28-24-12-8-7-11-23(24)26(30)27-18-17-21-9-5-4-6-10-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,11,2,29,28,30,18,17,27,31,19,16,4,8,5,7,25,24,10,3,26,6,20,15,12,21,23,14,13,22,9/E:(5,6)(9,10)(13,14)(15,16)/rA:31cCCCCCCCCOCCCONCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1453 |
Area: | 693.77 |
Solvation: | -4.19891 |
Coulombic: | -54.4637 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.85 |
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 |
---|