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Chemical ID: 4160374
Chemical ID:
4160374
Name [?]:
4-(2,4-dimethylphenoxy)-N-(2-isopropylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C21H27NO2/c1-15(2)18-8-5-6-9-19(18)22-21(23)10-7-13-24-20-12-11-16(3)14-17(20)4/h5-6,8-9,11-12,14-15H,7,10,13H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,8,19,18,11,20,17,12,3,4,10,7,22,2,6,21,16,5,13,15,14,9/E:(1,2)/rA:24nCCCCCCCCOCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9317 |
Area: | 580.371 |
Solvation: | -3.5776 |
Coulombic: | -29.0165 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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