ChemDB: Chemical Search
Download
Chemical ID: 6644105
Chemical ID:
6644105
Name [?]:
N-[(4-ethoxyphenyl)methyleneamino]-2-(5-isopropyl-2-methyl-phenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)COc2cc(ccc2C)C(C)C
InChi [?]:
InChI=1/C21H26N2O3/c1-5-25-19-10-7-17(8-11-19)13-22-23-21(24)14-26-20-12-18(15(2)3)9-6-16(20)4/h6-13,15H,5,14H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,23,2,21,6,8,20,5,9,18,10,15,24,22,7,19,4,17,13,11,12,14,3,16/E:(2,3)(7,8)(10,11)/rA:26nCCOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93014 |
Area: | 618.197 |
Solvation: | -6.5248 |
Coulombic: | -33.8613 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.64 |
LogP (Chemaxon): | 4.77 |
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 |
---|