Chemical ID: 4247464

CCC(=O)c1ccccc1OCCNC2CCCC2
Chemical ID:
4247464
Name [?]:
1-[2-(2-cyclopentylaminoethoxy)phenyl]propan-1-one
SMILES [?]:
CCC(=O)c1ccccc1OCCNC2CCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-2-15(18)14-9-5-6-10-16(14)19-12-11-17-13-7-3-4-8-13/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,7,8,16,19,6,9,13,12,15,5,3,10,14,4,11/E:(3,4)(7,8)/rA:19nCCCOCCCCCCOCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.86249
Area:477.244
Solvation:-4.06862
Coulombic:-23.8408
Bond Count [?]
All:20
Single:16
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:261.359
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.9
LogP (Chemaxon):2.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue