2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide

C13H19NO4 — CID 103890698

IUPAC2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO4/c1-9(8-15)4-3-7-14-13(18)12-10(16)5-2-6-11(12)17/h2,5-6,9,15-17H,3-4,7-8H2,1H3,(H,14,18)
InChIKeyPUDIVFQERDWDLD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.24
Rot. Bonds6

About 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide

2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide (PubChem CID 103890698) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
PubChem CID103890698
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO4/c1-9(8-15)4-3-7-14-13(18)12-10(16)5-2-6-11(12)17/h2,5-6,9,15-17H,3-4,7-8H2,1H3,(H,14,18)
InChIKeyPUDIVFQERDWDLD-UHFFFAOYSA-N
XLogP1.24
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
2-chloro-N-(5-hydroxy-4-methylpentyl)-6-nitrobenzamide
CID 106155607
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide (CID 103890698) is 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide is CC(CO)CCCNC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
The InChIKey is PUDIVFQERDWDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(8-15)4-3-7-14-13(18)12-10(16)5-2-6-11(12)17/h2,5-6,9,15-17H,3-4,7-8H2,1H3,(H,14,18).
What are the key properties of 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103890698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).