Chemical ID: 7357192

CCCCN(CC)CC(COc1ccc(cc1)C(=O)C)O
Chemical ID:
7357192
Name [?]:
1-[4-[3-(butyl-ethyl-amino)-2-hydroxy-propoxy]phenyl]ethanone
SMILES [?]:
CCCCN(CC)CC(COc1ccc(cc1)C(=O)C)O
InChi [?]:
InChI=1/C17H27NO3/c1-4-6-11-18(5-2)12-16(20)13-21-17-9-7-15(8-10-17)14(3)19/h7-10,16,20H,4-6,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,20,2,6,3,14,16,13,17,4,8,10,18,15,9,12,5,19,21,11/E:(7,8)(9,10)/rA:21cCCCCNCCCCCOCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO3
All Atoms:48
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.50392
Area:545.069
Solvation:-5.12282
Coulombic:-37.044
Bond Count [?]
All:21
Single:17
Double:4
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:293.401
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.73
LogP (Chemaxon):2.26

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