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Chemical ID: 4160371
Chemical ID:
4160371
Name [?]:
4-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14-7-10-19(17(4)12-14)23-11-5-6-20(22)21-18-9-8-15(2)16(3)13-18/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,8,11,12,3,18,17,4,10,7,21,2,19,20,6,16,5,13,15,14,9/rA:23nCCCCCCCCOCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3546 |
Area: | 560.785 |
Solvation: | -3.66506 |
Coulombic: | -27.9164 |
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: | 4.73 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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