2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

C12H18N2O2 — CID 24761775

IUPAC2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC[C@H](C(O)c1ccccc1)N(C)C(=O)CN
InChIInChI=1S/C12H18N2O2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8,13H2,1-2H3/t9-,12?/m1/s1
InChIKeyRASDPMXCBLHKCI-PKEIRNPWSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (PubChem CID 24761775) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
PubChem CID24761775
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESC[C@H](C(O)c1ccccc1)N(C)C(=O)CN
InChIInChI=1S/C12H18N2O2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8,13H2,1-2H3/t9-,12?/m1/s1
InChIKeyRASDPMXCBLHKCI-PKEIRNPWSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (CID 24761775) is 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is C[C@H](C(O)c1ccccc1)N(C)C(=O)CN.
What is the InChIKey of 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The InChIKey is RASDPMXCBLHKCI-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8,13H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide 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 2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 24761775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).