3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide

C13H20N2O3 — CID 54934715

IUPAC3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(O)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(14-7-6-13(18)15(2)3)11-5-4-10(16)8-12(11)17/h4-5,8-9,14,16-17H,6-7H2,1-3H3
InChIKeyYKVPDAQXZZKXGU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds5

About 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide

3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 54934715) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID54934715
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(O)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(14-7-6-13(18)15(2)3)11-5-4-10(16)8-12(11)17/h4-5,8-9,14,16-17H,6-7H2,1-3H3
InChIKeyYKVPDAQXZZKXGU-UHFFFAOYSA-N
XLogP1.23
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055
3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 82962909
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 103780154

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide (CID 54934715) is 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide is CC(NCCC(=O)N(C)C)c1ccc(O)cc1O.
What is the InChIKey of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is YKVPDAQXZZKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(14-7-6-13(18)15(2)3)11-5-4-10(16)8-12(11)17/h4-5,8-9,14,16-17H,6-7H2,1-3H3.
What are the key properties of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54934715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).