3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide

C14H22N2O2 — CID 106918846

IUPAC3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-10(14(18)15-3)9-16(4)11(2)12-6-5-7-13(17)8-12/h5-8,10-11,17H,9H2,1-4H3,(H,15,18)
InChIKeyAOPYHOFZUXWREV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds5

About 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide

3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918846) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106918846
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-10(14(18)15-3)9-16(4)11(2)12-6-5-7-13(17)8-12/h5-8,10-11,17H,9H2,1-4H3,(H,15,18)
InChIKeyAOPYHOFZUXWREV-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide 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

3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400828
N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide
CID 95303333
3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400824
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
3-[(5-bromo-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887345
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide (CID 106918846) is 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is AOPYHOFZUXWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(14(18)15-3)9-16(4)11(2)12-6-5-7-13(17)8-12/h5-8,10-11,17H,9H2,1-4H3,(H,15,18).
What are the key properties of 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).