2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide

C13H20N2O3 — CID 107711729

IUPAC2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide
SMILESCC(c1c(O)cccc1O)N(C)CC(=O)N(C)C
InChIInChI=1S/C13H20N2O3/c1-9(15(4)8-12(18)14(2)3)13-10(16)6-5-7-11(13)17/h5-7,9,16-17H,8H2,1-4H3
InChIKeyOGFVERJFVZZXJR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide

2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide (PubChem CID 107711729) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide
PubChem CID107711729
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide
SMILESCC(c1c(O)cccc1O)N(C)CC(=O)N(C)C
InChIInChI=1S/C13H20N2O3/c1-9(15(4)8-12(18)14(2)3)13-10(16)6-5-7-11(13)17/h5-7,9,16-17H,8H2,1-4H3
InChIKeyOGFVERJFVZZXJR-UHFFFAOYSA-N
XLogP1.18
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide (CID 107711729) is 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide is CC(c1c(O)cccc1O)N(C)CC(=O)N(C)C.
What is the InChIKey of 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is OGFVERJFVZZXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(15(4)8-12(18)14(2)3)13-10(16)6-5-7-11(13)17/h5-7,9,16-17H,8H2,1-4H3.
What are the key properties of 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide?
2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 107711729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).