Chemical ID: 3967527

COc1ccc(c(c1)C(CNC(=O)CN)O)OC
Chemical ID:
3967527
Name [?]:
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxy-ethyl]-acetamide
SMILES [?]:
COc1ccc(c(c1)C(CNC(=O)CN)O)OC
InChi [?]:
InChI=1/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,18,4,5,8,14,10,3,7,9,6,12,15,11,16,13,2,17/rA:18cCOCCCCCCCCNCOCNOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s12;s14;s9;s6;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.62414
Area:457.352
Solvation:-5.80966
Coulombic:-63.2755
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:254.282
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-0.46
LogP (Chemaxon):-0.79

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