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

C13H20N2O2 — CID 54935284

IUPAC3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-10(11-4-6-12(16)7-5-11)14-9-8-13(17)15(2)3/h4-7,10,14,16H,8-9H2,1-3H3
InChIKeyNSNJYXAWBDUWTH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds5

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

3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 54935284) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID54935284
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-10(11-4-6-12(16)7-5-11)14-9-8-13(17)15(2)3/h4-7,10,14,16H,8-9H2,1-3H3
InChIKeyNSNJYXAWBDUWTH-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
CID 63868541
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
CID 62636904

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide (CID 54935284) is 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide is CC(NCCC(=O)N(C)C)c1ccc(O)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is NSNJYXAWBDUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(11-4-6-12(16)7-5-11)14-9-8-13(17)15(2)3/h4-7,10,14,16H,8-9H2,1-3H3.
What are the key properties of 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54935284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).