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Chemical ID: 5584372
Chemical ID:
5584372
Name [?]:
N-ethyl-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
CCNC(=O)COc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-2-17-16(18)12-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,19,10,12,9,13,6,14,11,8,4,3,5,7/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCNCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8694 |
Area: | 475.134 |
Solvation: | -4.00895 |
Coulombic: | -30.3463 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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