3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide

C12H17NO5 — CID 103892640

IUPAC3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H17NO5/c1-13(6-11(16)7-18-2)12(17)8-3-9(14)5-10(15)4-8/h3-5,11,14-16H,6-7H2,1-2H3
InChIKeyHHMOLUIPBCHNCA-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.18
Rot. Bonds5

About 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide

3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (PubChem CID 103892640) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
PubChem CID103892640
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H17NO5/c1-13(6-11(16)7-18-2)12(17)8-3-9(14)5-10(15)4-8/h3-5,11,14-16H,6-7H2,1-2H3
InChIKeyHHMOLUIPBCHNCA-UHFFFAOYSA-N
XLogP0.18
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
CID 131947258
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
CID 54993384
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 54993279
5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide
CID 111695089

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (CID 103892640) is 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is COCC(O)CN(C)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The InChIKey is HHMOLUIPBCHNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-13(6-11(16)7-18-2)12(17)8-3-9(14)5-10(15)4-8/h3-5,11,14-16H,6-7H2,1-2H3.
What are the key properties of 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide has a molecular weight of 255.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 103892640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).