2,6-dihydroxy-N-pentan-2-ylbenzamide

C12H17NO3 — CID 103890167

IUPAC2,6-dihydroxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO3/c1-3-5-8(2)13-12(16)11-9(14)6-4-7-10(11)15/h4,6-8,14-15H,3,5H2,1-2H3,(H,13,16)
InChIKeyYAIZTTPKGWAQEV-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.02
Rot. Bonds4

About 2,6-dihydroxy-N-pentan-2-ylbenzamide

2,6-dihydroxy-N-pentan-2-ylbenzamide (PubChem CID 103890167) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,6-dihydroxy-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-pentan-2-ylbenzamide
PubChem CID103890167
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,6-dihydroxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO3/c1-3-5-8(2)13-12(16)11-9(14)6-4-7-10(11)15/h4,6-8,14-15H,3,5H2,1-2H3,(H,13,16)
InChIKeyYAIZTTPKGWAQEV-UHFFFAOYSA-N
XLogP2.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
N-(2-aminopentyl)-2,6-dihydroxybenzamide
CID 107691454
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859798
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 107689580

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-pentan-2-ylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-pentan-2-ylbenzamide (CID 103890167) is 2,6-dihydroxy-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-pentan-2-ylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-pentan-2-ylbenzamide?
The InChIKey is YAIZTTPKGWAQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-5-8(2)13-12(16)11-9(14)6-4-7-10(11)15/h4,6-8,14-15H,3,5H2,1-2H3,(H,13,16).
What are the key properties of 2,6-dihydroxy-N-pentan-2-ylbenzamide?
2,6-dihydroxy-N-pentan-2-ylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-pentan-2-ylbenzamide is sourced from PubChem (CID 103890167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).