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Chemical ID: 6850460
Chemical ID:
6850460
Name [?]:
4-(2,3-dimethylphenoxy)-N-(o-tolyl)butanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCCOc2cccc(c2C)C
InChi [?]:
InChI=1/C19H23NO2/c1-14-9-6-11-18(16(14)3)22-13-7-12-19(21)20-17-10-5-4-8-15(17)2/h4-6,8-11H,7,12-13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:22,1,21,4,5,17,12,3,18,6,16,11,13,19,2,20,7,15,9,8,10,14/rA:22nCCCCCCCNCOCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67509 |
Area: | 531.209 |
Solvation: | -3.60514 |
Coulombic: | -28.3854 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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