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Chemical ID: 5544832
Chemical ID:
5544832
Name [?]:
N-(2-cyanophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C19H20N2O2/c1-3-14(2)15-8-10-17(11-9-15)23-13-19(22)21-18-7-5-4-6-16(18)12-20/h4-11,14H,3,13H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,17,6,10,7,9,22,12,3,5,21,8,16,13,23,15,14,11/E:(8,9)(10,11)/rA:23cCCCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.8113 |
Area: | 550.362 |
Solvation: | -3.94775 |
Coulombic: | -33.6123 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 308.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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