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Chemical ID: 7255242
Chemical ID:
7255242
Name [?]:
2-(2-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O3/c1-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-2-4-14(16)10-18/h2-9H,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,5,7,4,8,21,9,13,6,20,3,15,11,22,10,12,2,14/E:(6,7)(8,9)/rA:22nCOCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O3 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27773 |
Area: | 530.868 |
Solvation: | -5.99398 |
Coulombic: | -39.6303 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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