ChemDB: Chemical Search
Download
Chemical ID: 6987668
Chemical ID:
6987668
Name [?]:
N-[(2-ethoxyphenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)COc2ccccc2C(C)C
InChi [?]:
InChI=1/C20H24N2O3/c1-4-24-18-11-7-5-9-16(18)13-21-22-20(23)14-25-19-12-8-6-10-17(19)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,7,20,6,19,8,21,5,18,10,15,23,9,22,4,17,13,11,12,14,3,16/E:(2,3)/rA:25nCCOCCCCCCCNNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.93358 |
Area: | 581.747 |
Solvation: | -7.61011 |
Coulombic: | -32.6475 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 340.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.3 |
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 |
---|