N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide

C11H15NO5 — CID 107690124

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
SMILESCC(O)(CO)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H15NO5/c1-11(17,6-13)5-12-10(16)9-7(14)3-2-4-8(9)15/h2-4,13-15,17H,5-6H2,1H3,(H,12,16)
InChIKeyGMIFAVBQAJUQKS-UHFFFAOYSA-N
MW241.24 g/mol
LogP-0.43
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide

N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide (PubChem CID 107690124) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
PubChem CID107690124
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
SMILESCC(O)(CO)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H15NO5/c1-11(17,6-13)5-12-10(16)9-7(14)3-2-4-8(9)15/h2-4,13-15,17H,5-6H2,1H3,(H,12,16)
InChIKeyGMIFAVBQAJUQKS-UHFFFAOYSA-N
XLogP-0.43
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198
2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 113346830
1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 66170746
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide (CID 107690124) is N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide is CC(O)(CO)CNC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide?
The InChIKey is GMIFAVBQAJUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(17,6-13)5-12-10(16)9-7(14)3-2-4-8(9)15/h2-4,13-15,17H,5-6H2,1H3,(H,12,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide?
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide has a molecular weight of 241.24 g/mol, XLogP of -0.43, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107690124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).