2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide

C11H16N2O2 — CID 107734416

IUPAC2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-3-10(12)11(15)13(2)8-4-6-9(14)7-5-8/h4-7,10,14H,3,12H2,1-2H3
InChIKeyCRTKVMXSGBETBD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide

2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide (PubChem CID 107734416) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
PubChem CID107734416
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-3-10(12)11(15)13(2)8-4-6-9(14)7-5-8/h4-7,10,14H,3,12H2,1-2H3
InChIKeyCRTKVMXSGBETBD-UHFFFAOYSA-N
XLogP1.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-pyridin-4-ylpropanamide
CID 106935047
3-hydroxy-N-(4-hydroxyphenyl)-N,2-dimethylpropanamide
CID 134339239
2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 11063778
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
CID 104903373
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
3-amino-N-(4-hydroxyphenyl)-N,2-dimethyl-3-phenylpropanamide
CID 107734254
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
CID 86601556

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide?
The IUPAC name of 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide (CID 107734416) is 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide is CCC(N)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide?
The InChIKey is CRTKVMXSGBETBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10(12)11(15)13(2)8-4-6-9(14)7-5-8/h4-7,10,14H,3,12H2,1-2H3.
What are the key properties of 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide?
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide has a molecular weight of 208.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 107734416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).