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Chemical ID: 7253212
Chemical ID:
7253212
Name [?]:
2-(2-methoxy-4-prop-1-enyl-phenoxy)-N-(4-methylcyclohexyl)-acetamide
SMILES [?]:
CC=Cc1ccc(c(c1)OC)OCC(=O)NC2CCC(CC2)C
InChi [?]:
InChI=1/C19H27NO3/c1-4-5-15-8-11-17(18(12-15)22-3)23-13-19(21)20-16-9-6-14(2)7-10-16/h4-5,8,11-12,14,16H,6-7,9-10,13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,11,2,3,19,21,5,18,22,6,9,13,20,4,17,7,8,14,16,15,10,12/E:(6,7)(9,10)/rA:23nCCCCCCCCCOCOCCONCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO3 |
All Atoms: | 50 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96836 |
Area: | 556.006 |
Solvation: | -5.93179 |
Coulombic: | -36.9064 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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