2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide

C13H20N2O3 — CID 86805006

IUPAC2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)CN(C)C)ccc1OCCO
InChIInChI=1S/C13H20N2O3/c1-10-8-11(14-13(17)9-15(2)3)4-5-12(10)18-7-6-16/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyHYSBMLDBUNHYDO-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.87
Rot. Bonds6

About 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide

2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide (PubChem CID 86805006) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
PubChem CID86805006
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)CN(C)C)ccc1OCCO
InChIInChI=1S/C13H20N2O3/c1-10-8-11(14-13(17)9-15(2)3)4-5-12(10)18-7-6-16/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyHYSBMLDBUNHYDO-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide (CID 86805006) is 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide is Cc1cc(NC(=O)CN(C)C)ccc1OCCO.
What is the InChIKey of 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
The InChIKey is HYSBMLDBUNHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-8-11(14-13(17)9-15(2)3)4-5-12(10)18-7-6-16/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17).
What are the key properties of 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide is sourced from PubChem (CID 86805006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).