2,6-dihydroxy-N-(3-hydroxybutyl)benzamide

C11H15NO4 — CID 103890654

IUPAC2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
SMILESCC(O)CCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H15NO4/c1-7(13)5-6-12-11(16)10-8(14)3-2-4-9(10)15/h2-4,7,13-15H,5-6H2,1H3,(H,12,16)
InChIKeyGTBVZSCDMIDRRQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.60
Rot. Bonds4

About 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide

2,6-dihydroxy-N-(3-hydroxybutyl)benzamide (PubChem CID 103890654) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
PubChem CID103890654
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
SMILESCC(O)CCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H15NO4/c1-7(13)5-6-12-11(16)10-8(14)3-2-4-9(10)15/h2-4,7,13-15H,5-6H2,1H3,(H,12,16)
InChIKeyGTBVZSCDMIDRRQ-UHFFFAOYSA-N
XLogP0.60
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2-(3-hydroxybutylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429122
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
CID 103890422
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103890327
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide (CID 103890654) is 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide is CC(O)CCNC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide?
The InChIKey is GTBVZSCDMIDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(13)5-6-12-11(16)10-8(14)3-2-4-9(10)15/h2-4,7,13-15H,5-6H2,1H3,(H,12,16).
What are the key properties of 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide?
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide has a molecular weight of 225.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(3-hydroxybutyl)benzamide is sourced from PubChem (CID 103890654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).