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

C12H17NO5 — CID 113347205

IUPAC2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO5/c1-13(6-9(15)7-18-2)12(17)10-5-8(14)3-4-11(10)16/h3-5,9,14-16H,6-7H2,1-2H3
InChIKeyBACOXCKDGNDADS-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.18
Rot. Bonds5

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

2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (PubChem CID 113347205) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
PubChem CID113347205
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H17NO5/c1-13(6-9(15)7-18-2)12(17)10-5-8(14)3-4-11(10)16/h3-5,9,14-16H,6-7H2,1-2H3
InChIKeyBACOXCKDGNDADS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
CID 111695032
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (CID 113347205) is 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is COCC(O)CN(C)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The InChIKey is BACOXCKDGNDADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-13(6-9(15)7-18-2)12(17)10-5-8(14)3-4-11(10)16/h3-5,9,14-16H,6-7H2,1-2H3.
What are the key properties of 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
2,5-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 2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 113347205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).