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Chemical ID: 7307239
Chemical ID:
7307239
Name [?]:
2-(3-cyanophenoxy)-N-(2,3-dimethylcyclohexyl)-propanamide
SMILES [?]:
CC1CCCC(C1C)NC(=O)C(C)Oc2cccc(c2)C#N
InChi [?]:
InChI=1/C18H24N2O2/c1-12-6-4-9-17(13(12)2)20-18(21)14(3)22-16-8-5-7-15(10-16)11-19/h5,7-8,10,12-14,17H,4,6,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,13,4,17,3,18,16,5,20,21,2,7,12,19,15,6,10,22,9,11,14/rA:22cCCCCCCCCNCOCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.56507 |
Area: | 528.362 |
Solvation: | -3.644 |
Coulombic: | -33.9397 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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