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Chemical ID: 4156300
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
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Experimental Annotations
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Descriptor Annotations
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