ChemDB: Chemical Search
Download
Chemical ID: 4825428
Chemical ID:
4825428
Name [?]:
2-(2,6-dimethylphenoxy)-N-(2,6-dimethylphenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
SMILES [?]:
Cc1cccc(c1N(Cc2ccccc2O)C(=O)COc3c(cccc3C)C)C
InChi [?]:
InChI=1/C25H27NO3/c1-17-9-7-10-18(2)24(17)26(15-21-13-5-6-14-22(21)27)23(28)16-29-25-19(3)11-8-12-20(25)4/h5-14,27H,15-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,27,28,12,13,4,24,3,5,25,23,11,14,9,19,2,6,26,22,10,15,17,7,21,8,16,18,20/E:(1,2)(3,4)(9,10)(11,12)(17,18)(19,20)/rA:29nCCCCCCCNCCCCCCCOCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s8;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1701 |
Area: | 575.618 |
Solvation: | -4.22032 |
Coulombic: | -42.9474 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 6.01 |
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 |
---|