2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide

C13H19NO4 — CID 107329756

IUPAC2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO4/c1-14(8-3-2-4-9-15)13(18)12-10(16)6-5-7-11(12)17/h5-7,15-17H,2-4,8-9H2,1H3
InChIKeyKZNIOSDOCIKFOX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.33
Rot. Bonds6

About 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide

2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107329756) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107329756
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO4/c1-14(8-3-2-4-9-15)13(18)12-10(16)6-5-7-11(12)17/h5-7,15-17H,2-4,8-9H2,1H3
InChIKeyKZNIOSDOCIKFOX-UHFFFAOYSA-N
XLogP1.33
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
2-chloro-N-(5-hydroxypentyl)-N-methyl-6-nitrobenzamide
CID 107202351
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
CID 107202461
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 103749107

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107329756) is 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is KZNIOSDOCIKFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(8-3-2-4-9-15)13(18)12-10(16)6-5-7-11(12)17/h5-7,15-17H,2-4,8-9H2,1H3.
What are the key properties of 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide?
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107329756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).