Chemical ID: 3966397

CC(C)(C)C(=O)Oc1ccc(cc1OC(=O)C(C)(C)C)C(CNC)O
Chemical ID:
3966397
Name [?]:
[2-(2,2-dimethylpropanoyloxy)-4-(1-hydroxy-2-methylamino-ethyl)-phenyl] 2,2-dimethylpropanoate
SMILES [?]:
CC(C)(C)C(=O)Oc1ccc(cc1OC(=O)C(C)(C)C)C(CNC)O
InChi [?]:
InChI=1/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,19,20,24,10,9,12,22,11,21,8,13,5,15,2,17,23,25,6,16,7,14/E:(1,2,3)(4,5,6)/rA:25cCCCCCOOCCCCCCOCOCCCCCCNCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s17;s17;s11;s21;s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H29NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1928
Area:592.217
Solvation:-3.61262
Coulombic:-64.6639
Bond Count [?]
All:25
Single:20
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:351.437
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):3.91

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