Chemical ID: 4156300

CC(C)(C)c1ccc(cc1)OCCCC(=O)Nc2ccc(c(c2)Cl)OC
Chemical ID:
4156300
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCCC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C21H26ClNO3/c1-21(2,3)15-7-10-17(11-8-15)26-13-5-6-20(24)23-16-9-12-19(25-4)18(22)14-16/h7-12,14H,5-6,13H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,13,14,6,10,19,7,9,20,12,23,5,18,8,22,21,15,2,24,17,16,25,11/E:(1,2,3)(7,8)(10,11)/rA:26nCCCCCCCCCCOCCCCONCCCCCCClOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26ClNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4586
Area:625.233
Solvation:-5.1722
Coulombic:-35.6918
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:375.889
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.54
LogP (Chemaxon):5.2

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