Chemical ID: 3969857

Cc1cc(ccc1OCC(=O)NC(Cc2ccccc2)C(=O)N)C(C)(C)C
Chemical ID:
3969857
Name [?]:
2-[2-(2-methyl-4-tert-butyl-phenoxy)acetyl]amino-3-phenyl-propanamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NC(Cc2ccccc2)C(=O)N)C(C)(C)C
InChi [?]:
InChI=1/C22H28N2O3/c1-15-12-17(22(2,3)4)10-11-19(15)27-14-20(25)24-18(21(23)26)13-16-8-6-5-7-9-16/h5-12,18H,13-14H2,1-4H3,(H2,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,18,17,19,16,20,5,6,3,14,9,2,15,4,13,7,10,21,24,23,12,11,22,8/E:(2,3,4)(6,7)(8,9)/rA:27cCCCCCCCOCCONCCCCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s13;d21;s21;s4;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.044
Area:619.845
Solvation:-5.45213
Coulombic:-55.6214
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.469
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):3.71

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