(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide

C11H16N2O2 — CID 91082620

IUPAC(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
SMILESCc1cc(N(C)C(=O)[C@H](C)N)ccc1O
InChIInChI=1S/C11H16N2O2/c1-7-6-9(4-5-10(7)14)13(3)11(15)8(2)12/h4-6,8,14H,12H2,1-3H3/t8-/m0/s1
InChIKeyLUSUNLGDXJYJDQ-QMMMGPOBSA-N
MW208.26 g/mol
LogP1.01
Rot. Bonds2

About (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide

(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide (PubChem CID 91082620) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
PubChem CID91082620
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
SMILESCc1cc(N(C)C(=O)[C@H](C)N)ccc1O
InChIInChI=1S/C11H16N2O2/c1-7-6-9(4-5-10(7)14)13(3)11(15)8(2)12/h4-6,8,14H,12H2,1-3H3/t8-/m0/s1
InChIKeyLUSUNLGDXJYJDQ-QMMMGPOBSA-N
XLogP1.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
CID 119305750
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
2-amino-N-(2,6-dimethylphenyl)-N-methylpropanamide
CID 10081730
(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119320848
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
CID 59238546
2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
CID 115140469
2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115152304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide (CID 91082620) is (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide is Cc1cc(N(C)C(=O)[C@H](C)N)ccc1O.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide?
The InChIKey is LUSUNLGDXJYJDQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-9(4-5-10(7)14)13(3)11(15)8(2)12/h4-6,8,14H,12H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide?
(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide is sourced from PubChem (CID 91082620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).