(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide

C12H18N2O2 — CID 104897800

IUPAC(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
SMILESCC(O)CN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(15)8-14(2)12(16)11(13)10-6-4-3-5-7-10/h3-7,9,11,15H,8,13H2,1-2H3/t9?,11-/m0/s1
InChIKeyGYJSNBQFZBLIJF-UMJHXOGRSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide

(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide (PubChem CID 104897800) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
PubChem CID104897800
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
SMILESCC(O)CN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(15)8-14(2)12(16)11(13)10-6-4-3-5-7-10/h3-7,9,11,15H,8,13H2,1-2H3/t9?,11-/m0/s1
InChIKeyGYJSNBQFZBLIJF-UMJHXOGRSA-N
XLogP0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
CID 161285414
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide (CID 104897800) is (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide is CC(O)CN(C)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide?
The InChIKey is GYJSNBQFZBLIJF-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)8-14(2)12(16)11(13)10-6-4-3-5-7-10/h3-7,9,11,15H,8,13H2,1-2H3/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide?
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 104897800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).