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Chemical ID: 6990209
Chemical ID:
6990209
Name [?]:
N-(2-cyanophenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C18H18N2O2/c1-13(2)14-7-9-16(10-8-14)22-12-18(21)20-17-6-4-3-5-15(17)11-19/h3-10,13H,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,5,9,6,8,21,11,2,4,20,7,15,12,22,14,13,10/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22252 |
Area: | 526.447 |
Solvation: | -3.93866 |
Coulombic: | -33.268 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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