ChemDB: Chemical Search
Download
Chemical ID: 7475986
Chemical ID:
7475986
Name [?]:
2-[2-(2,5-dimethylphenoxy)acetyl]amino-N-phenethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3)C
InChi [?]:
InChI=1/C25H26N2O3/c1-18-12-13-19(2)23(16-18)30-17-24(28)27-22-11-7-6-10-21(22)25(29)26-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,28,16,15,25,29,17,14,3,4,23,22,7,9,2,5,24,18,13,6,10,19,21,12,11,20,8/E:(4,5)(8,9)/rA:30nCCCCCCCOCCONCCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2003 |
Area: | 671.263 |
Solvation: | -4.58129 |
Coulombic: | -52.8154 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.39 |
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 |
---|