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Chemical ID: 4151493
Chemical ID:
4151493
Name [?]:
N-(2,3-dimethylphenyl)-4-phenoxy-butanamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-14-8-6-11-17(15(14)2)19-18(20)12-7-13-21-16-9-4-3-5-10-16/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,20,4,13,3,17,21,5,12,14,2,7,16,6,10,9,11,15/E:(4,5)(9,10)/rA:21nCCCCCCCCNCOCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09005 |
Area: | 510.745 |
Solvation: | -3.67857 |
Coulombic: | -28.451 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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