2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide

C11H15NO3 — CID 60652527

IUPAC2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)CCO)c1
InChIInChI=1S/C11H15NO3/c1-8-3-4-10(14)9(7-8)11(15)12(2)5-6-13/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyKHSITUFGRWLFSO-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.76
Rot. Bonds3

About 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide

2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide (PubChem CID 60652527) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
PubChem CID60652527
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)CCO)c1
InChIInChI=1S/C11H15NO3/c1-8-3-4-10(14)9(7-8)11(15)12(2)5-6-13/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyKHSITUFGRWLFSO-UHFFFAOYSA-N
XLogP0.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 115611587
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 76928817
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
4-[(2-hydroxy-4-methylbenzoyl)-methylamino]butanoic acid
CID 43151825
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide (CID 60652527) is 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide is Cc1ccc(O)c(C(=O)N(C)CCO)c1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide?
The InChIKey is KHSITUFGRWLFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-4-10(14)9(7-8)11(15)12(2)5-6-13/h3-4,7,13-14H,5-6H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide?
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide has a molecular weight of 209.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 60652527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).