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Chemical ID: 3967527
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
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Experimental Annotations
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Descriptor Annotations
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