2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide

C12H15NO4 — CID 107724816

IUPAC2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cc(O)ccc1O
InChIInChI=1S/C12H15NO4/c14-8-1-2-11(16)10(5-8)12(17)13-6-7-3-9(15)4-7/h1-2,5,7,9,14-16H,3-4,6H2,(H,13,17)
InChIKeyJCGYUKKHBJXKIJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.60
Rot. Bonds3

About 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide

2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 107724816) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID107724816
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cc(O)ccc1O
InChIInChI=1S/C12H15NO4/c14-8-1-2-11(16)10(5-8)12(17)13-6-7-3-9(15)4-7/h1-2,5,7,9,14-16H,3-4,6H2,(H,13,17)
InChIKeyJCGYUKKHBJXKIJ-UHFFFAOYSA-N
XLogP0.60
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005764
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
N-[(1,1-dioxothiolan-2-yl)methyl]-2,5-dihydroxybenzamide
CID 107723405
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 107724816) is 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1CC(O)C1)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is JCGYUKKHBJXKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-8-1-2-11(16)10(5-8)12(17)13-6-7-3-9(15)4-7/h1-2,5,7,9,14-16H,3-4,6H2,(H,13,17).
What are the key properties of 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide?
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 237.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 107724816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).