4-Hydroxy-3,5-dimethoxybenzamide
C₉H₁₁NO₄·197.190 g/mol·CID 76522
IUPAC: 4-hydroxy-3,5-dimethoxybenzamide
Also known as: 3086-72-4, syringamide, Benzamide, 4-hydroxy-3,5-dimethoxy-, L8Y9YLN9U9, NSC-164893 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
197.190g/mol
Exact Mass
197.068808Da
Monoisotopic Mass
197.068808Da
XLogP
0.4
Polar Surface Area
81.8Ų
Complexity
195
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 197.2 g/mol
MW ≤ 500
✓ 0.4
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H319Causes serious eye irritationH341Suspected of causing genetic defects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12)
Isomers8 compounds with formula C₉H₁₁NO₄
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CID 6047 · 197.2 g/mol
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CID 836 · 197.2 g/mol
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CID 92222 · 197.2 g/mol
(2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
CID 6971033 · 197.2 g/mol
2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
CID 58663891 · 197.2 g/mol
(2S)-2-amino-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 68908 · 197.2 g/mol
ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 54676534 · 197.2 g/mol
2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 90408 · 197.2 g/mol