Chemical ID: 6970138

Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2)N(C)C(=O)C)C(C)C
Chemical ID:
6970138
Name [?]:
N-[4-(acetyl-methyl-amino)phenyl]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2)N(C)C(=O)C)C(C)C
InChi [?]:
InChI=1/C21H26N2O3/c1-14(2)19-11-6-15(3)12-20(19)26-13-21(25)22-17-7-9-18(10-8-17)23(5)16(4)24/h6-12,14H,13H2,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,23,20,3,14,18,15,17,4,7,9,24,2,21,13,16,5,6,10,12,19,22,11,8/E:(1,2)(7,8)(9,10)/rA:26nCCCCCCCOCCONCCCCCCNCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;d21;s21;s5;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O3
All Atoms:52
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.50993
Area:596.203
Solvation:-5.39514
Coulombic:-42.9719
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:354.443
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):3.63

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