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Chemical ID: 4160367
Chemical ID:
4160367
Name [?]:
4-(2,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14-10-11-19(16(3)13-14)23-12-6-9-20(22)21-18-8-5-7-15(2)17(18)4/h5,7-8,10-11,13H,6,9,12H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,8,22,18,11,19,17,12,3,4,10,7,2,20,6,21,16,5,13,15,14,9/rA:23nCCCCCCCCOCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2974 |
Area: | 555.933 |
Solvation: | -3.6009 |
Coulombic: | -28.1294 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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