(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

C11H16N2O2 — CID 61146195

IUPAC(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)11(15)13(2)7-9-3-5-10(14)6-4-9/h3-6,8,14H,7,12H2,1-2H3/t8-/m0/s1
InChIKeyZSPZKWIISFKAKZ-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.70
Rot. Bonds3

About (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (PubChem CID 61146195) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
PubChem CID61146195
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)11(15)13(2)7-9-3-5-10(14)6-4-9/h3-6,8,14H,7,12H2,1-2H3/t8-/m0/s1
InChIKeyZSPZKWIISFKAKZ-QMMMGPOBSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
2-cyclopropyl-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 79506391
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286743
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
(2S)-2-amino-N-methyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide
CID 99705263
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
2-amino-N-(2,2-diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 18357220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (CID 61146195) is (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is C[C@H](N)C(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is ZSPZKWIISFKAKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(12)11(15)13(2)7-9-3-5-10(14)6-4-9/h3-6,8,14H,7,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.70, 3 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-hydroxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 61146195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).