Chemical ID: 6645111

Cc1cc(c(c(c1OC(=O)C)C)C)OCC(CNC(C)C)O
Chemical ID:
6645111
Name [?]:
[4-(2-hydroxy-3-isopropylamino-propoxy)-2,3,6-trimethyl-phenyl] acetate
SMILES [?]:
Cc1cc(c(c(c1OC(=O)C)C)C)OCC(CNC(C)C)O
InChi [?]:
InChI=1/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3
InChi Info:
AuxInfo=1/0/N:20,21,1,13,12,11,3,17,15,19,2,5,6,9,16,4,7,18,10,22,14,8/E:(1,2)/rA:22cCCCCCCCOCOCCCOCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6;s5;s4;s14;s15;s16;s17;s18;s19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.35867
Area:548.126
Solvation:-5.34449
Coulombic:-48.9053
Bond Count [?]
All:22
Single:18
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.401
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.22
LogP (Chemaxon):2.7

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Descriptor Annotations

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