Chemical ID: 4149839

Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(C)(C)c3ccccc3)C
Chemical ID:
4149839
Name [?]:
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(C)(C)c3ccccc3)C
InChi [?]:
InChI=1/C25H27NO2/c1-18-10-11-19(2)23(16-18)26-24(27)17-28-22-14-12-21(13-15-22)25(3,4)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,28,20,21,25,24,26,23,27,3,4,15,17,14,18,7,11,2,5,22,16,13,6,9,19,8,10,12/E:(3,4)(6,7)(8,9)(12,13)(14,15)/rA:28nCCCCCCCNCOCOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1542
Area:618.536
Solvation:-4.30925
Coulombic:-31.4246
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.487
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.65
LogP (Chemaxon):6.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue