2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide

C13H20N2O3 — CID 107710571

IUPAC2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1c(O)cccc1O
InChIInChI=1S/C13H20N2O3/c1-8(2)15-12(18)7-14-9(3)13-10(16)5-4-6-11(13)17/h4-6,8-9,14,16-17H,7H2,1-3H3,(H,15,18)
InChIKeyKQTZAKUOBDTBLO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide

2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 107710571) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID107710571
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)c1c(O)cccc1O
InChIInChI=1S/C13H20N2O3/c1-8(2)15-12(18)7-14-9(3)13-10(16)5-4-6-11(13)17/h4-6,8-9,14,16-17H,7H2,1-3H3,(H,15,18)
InChIKeyKQTZAKUOBDTBLO-UHFFFAOYSA-N
XLogP1.27
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-propan-2-yl-2-(sulfamoylamino)acetamide
CID 112684221
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide (CID 107710571) is 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is KQTZAKUOBDTBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)15-12(18)7-14-9(3)13-10(16)5-4-6-11(13)17/h4-6,8-9,14,16-17H,7H2,1-3H3,(H,15,18).
What are the key properties of 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 107710571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).