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Chemical ID: 6988823
Chemical ID:
6988823
Name [?]:
2-(2-isopropylphenoxy)-N-phenyl-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-13(2)15-10-6-7-11-16(15)20-12-17(19)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,6,7,16,20,5,8,11,2,15,4,9,12,14,13,10/E:(1,2)(4,5)(8,9)/rA:20nCCCCCCCCCOCCONCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24143 |
Area: | 485.184 |
Solvation: | -3.88818 |
Coulombic: | -30.09 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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