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Chemical ID: 4153185
Chemical ID:
4153185
Name [?]:
4-(2-methylphenoxy)-N-phenyl-butanamide
SMILES [?]:
Cc1ccccc1OCCCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-14-8-5-6-11-16(14)20-13-7-12-17(19)18-15-9-3-2-4-10-15/h2-6,8-11H,7,12-13H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,5,10,3,16,20,6,11,9,2,15,7,12,14,13,8/E:(3,4)(9,10)/rA:20nCCCCCCCOCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70546 |
Area: | 493.682 |
Solvation: | -3.63659 |
Coulombic: | -28.6382 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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