2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide

C11H15NO4 — CID 107722894

IUPAC2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H15NO4/c1-7(13)6-12(2)11(16)9-5-8(14)3-4-10(9)15/h3-5,7,13-15H,6H2,1-2H3
InChIKeyUHCIGBIVLKLVRT-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.55
Rot. Bonds3

About 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide

2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide (PubChem CID 107722894) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
PubChem CID107722894
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H15NO4/c1-7(13)6-12(2)11(16)9-5-8(14)3-4-10(9)15/h3-5,7,13-15H,6H2,1-2H3
InChIKeyUHCIGBIVLKLVRT-UHFFFAOYSA-N
XLogP0.55
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
2-[(2,5-dihydroxybenzoyl)-methylamino]propanoic acid
CID 107721641
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 115611587
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
CID 107722501

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide (CID 107722894) is 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide is CC(O)CN(C)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
The InChIKey is UHCIGBIVLKLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(13)6-12(2)11(16)9-5-8(14)3-4-10(9)15/h3-5,7,13-15H,6H2,1-2H3.
What are the key properties of 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide has a molecular weight of 225.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide is sourced from PubChem (CID 107722894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).