2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

C13H17NO5 — CID 106297310

IUPAC2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(O)ccc1O
InChIInChI=1S/C13H17NO5/c15-8-13(3-5-19-6-4-13)14-12(18)10-7-9(16)1-2-11(10)17/h1-2,7,15-17H,3-6,8H2,(H,14,18)
InChIKeyPMGOVZNCVKGIEP-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.37
Rot. Bonds3

About 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 106297310) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID106297310
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1cc(O)ccc1O
InChIInChI=1S/C13H17NO5/c15-8-13(3-5-19-6-4-13)14-12(18)10-7-9(16)1-2-11(10)17/h1-2,7,15-17H,3-6,8H2,(H,14,18)
InChIKeyPMGOVZNCVKGIEP-UHFFFAOYSA-N
XLogP0.37
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726425
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
N-[4-(bromomethyl)oxan-4-yl]-5-fluoro-2-hydroxybenzamide
CID 114170584
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (CID 106297310) is 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is O=C(NC1(CO)CCOCC1)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is PMGOVZNCVKGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-8-13(3-5-19-6-4-13)14-12(18)10-7-9(16)1-2-11(10)17/h1-2,7,15-17H,3-6,8H2,(H,14,18).
What are the key properties of 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide has a molecular weight of 267.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 106297310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).