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Chemical ID: 5568875
Chemical ID:
5568875
Name [?]:
N-(2-phenethylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccccc1CCc2ccccc2
InChi [?]:
InChI=1/C16H17NO/c1-13(18)17-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,8,7,14,18,9,6,12,11,2,13,10,5,4,3/E:(3,4)(7,8)/rA:18nCCONCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95352 |
Area: | 445.756 |
Solvation: | -2.19038 |
Coulombic: | -22.0001 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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