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Chemical ID: 7299248
Chemical ID:
7299248
Name [?]:
N-cycloheptyl-2-(2-methoxy-4-prop-1-enyl-phenoxy)-acetamide
SMILES [?]:
CC=Cc1ccc(c(c1)OC)OCC(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C19H27NO3/c1-3-8-15-11-12-17(18(13-15)22-2)23-14-19(21)20-16-9-6-4-5-7-10-16/h3,8,11-13,16H,4-7,9-10,14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,11,2,20,21,19,22,3,18,23,5,6,9,13,4,17,7,8,14,16,15,10,12/E:(4,5)(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;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO3 |
All Atoms: | 50 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92439 |
Area: | 556.396 |
Solvation: | -5.98553 |
Coulombic: | -36.9023 |
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: | 4.61 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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