N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide

C13H19NO3 — CID 139594143

IUPACN-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CO)c1c(C)cccc1C
InChIInChI=1S/C13H19NO3/c1-10-5-4-6-11(2)13(10)14(7-8-17-3)12(16)9-15/h4-6,15H,7-9H2,1-3H3
InChIKeyAGEOQFQAZYZFME-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide

N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide (PubChem CID 139594143) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide
PubChem CID139594143
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CO)c1c(C)cccc1C
InChIInChI=1S/C13H19NO3/c1-10-5-4-6-11(2)13(10)14(7-8-17-3)12(16)9-15/h4-6,15H,7-9H2,1-3H3
InChIKeyAGEOQFQAZYZFME-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide (CID 139594143) is N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CO)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide?
The InChIKey is AGEOQFQAZYZFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-4-6-11(2)13(10)14(7-8-17-3)12(16)9-15/h4-6,15H,7-9H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide?
N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-hydroxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 139594143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).