Chemical ID: 5221120

CC(=O)C(Cc1cc(c(c(c1)OC)OC)OC)N
Chemical ID:
5221120
Name [?]:
3-amino-4-(3,4,5-trimethoxyphenyl)-butan-2-one
SMILES [?]:
CC(=O)C(Cc1cc(c(c(c1)OC)OC)OC)N
InChi [?]:
InChI=1/C13H19NO4/c1-8(15)10(14)5-9-6-11(16-2)13(18-4)12(7-9)17-3/h6-7,10H,5,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,17,15,5,11,7,2,6,4,10,8,9,18,3,12,16,14/E:(2,3)(6,7)(11,12)(16,17)/rA:18cCCOCCCCCCCCOCOCOCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s8;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:4.26008
Area:448.464
Solvation:-6.95152
Coulombic:-40.0293
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:253.294
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.4
LogP (Chemaxon):0.94

Name Annotations

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Descriptor Annotations

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