2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide

C11H16N2O3 — CID 43545402

IUPAC2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc(O)cc1O)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-6(13-7(2)11(12)16)9-4-3-8(14)5-10(9)15/h3-7,13-15H,1-2H3,(H2,12,16)
InChIKeyWMHPUUTYGHQEJD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.62
Rot. Bonds4

About 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide

2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide (PubChem CID 43545402) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
PubChem CID43545402
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc(O)cc1O)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-6(13-7(2)11(12)16)9-4-3-8(14)5-10(9)15/h3-7,13-15H,1-2H3,(H2,12,16)
InChIKeyWMHPUUTYGHQEJD-UHFFFAOYSA-N
XLogP0.62
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
2-[1-(2,6-dihydroxyphenyl)ethylamino]propanamide
CID 107710565
2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
CID 107705454
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
4-[1-(dicyclopropylmethylamino)ethyl]benzene-1,3-diol
CID 43204126
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 54950564

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide (CID 43545402) is 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide is CC(NC(C)c1ccc(O)cc1O)C(N)=O.
What is the InChIKey of 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide?
The InChIKey is WMHPUUTYGHQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(13-7(2)11(12)16)9-4-3-8(14)5-10(9)15/h3-7,13-15H,1-2H3,(H2,12,16).
What are the key properties of 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide?
2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 43545402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).