Chemical ID: 6598143

COc1ccc(cc1)C(=O)CNC2CCCCCC2
Chemical ID:
6598143
Name [?]:
2-cycloheptylamino-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)C(=O)CNC2CCCCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-19-15-10-8-13(9-11-15)16(18)12-17-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,14,19,5,7,4,8,11,6,13,3,9,12,10,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:19nCOCCCCCCCOCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.12928
Area:471.261
Solvation:-3.65225
Coulombic:-25.0471
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.359
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.46
LogP (Chemaxon):2.59

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