ChemDB: Chemical Search
Download
Chemical ID: 3850683
Chemical ID:
3850683
Name [?]:
N-[2,5-diethoxy-4-(2-phenoxyacetyl)amino-phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1cc(c(cc1OCC)NC(=O)COc2ccccc2)OCC
InChi [?]:
InChI=1/C21H26N2O5/c1-4-20(24)22-16-12-19(27-6-3)17(13-18(16)26-5-2)23-21(25)14-28-15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,14,28,2,13,27,23,22,24,21,25,7,10,18,20,6,9,11,8,3,16,5,15,4,17,12,26,19/E:(8,9)(10,11)/rA:28nCCCONCCCCCCOCCNCOCOCCCCCCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s9;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s8;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98143 |
Area: | 634.666 |
Solvation: | -5.88522 |
Coulombic: | -63.6613 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 386.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.43 |
LogP (Chemaxon): | 3.01 |
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 |
---|