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Chemical ID: 6591316
Chemical ID:
6591316
Name [?]:
2-(4-cyanophenoxy)-N-(2-methylcyclohexyl)-acetamide
SMILES [?]:
CC1CCCCC1NC(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H20N2O2/c1-12-4-2-3-5-15(12)18-16(19)11-20-14-8-6-13(10-17)7-9-14/h6-9,12,15H,2-5,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,19,11,2,16,13,7,9,20,8,10,12/E:(6,7)(8,9)/rA:20cCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.23936 |
Area: | 493.759 |
Solvation: | -4.10463 |
Coulombic: | -32.3843 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 272.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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