Chemical ID: 3965856

CC(C)(C)NCC(COc1cccc2c1CCC(=O)N2)O
Chemical ID:
3965856
Name [?]:
5-(2-hydroxy-3-tert-butylamino-propoxy)-3,4-dihydro-1H-quinolin-2-one
SMILES [?]:
CC(C)(C)NCC(COc1cccc2c1CCC(=O)N2)O
InChi [?]:
InChI=1/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,11,16,17,6,8,7,15,14,10,18,2,5,20,21,19,9/E:(1,2,3)/rA:21cCCCCNCCCOCCCCCCCCCONO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;d18;s14s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.48074
Area:508.316
Solvation:-5.22715
Coulombic:-51.4094
Bond Count [?]
All:22
Single:18
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.373
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.11
LogP (Chemaxon):1.39

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