2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

C13H20N2O2 — CID 102065194

IUPAC2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-9(14)13(17)15(3)10(2)12(16)11-7-5-4-6-8-11/h4-10,12,16H,14H2,1-3H3/t9?,10-,12+/m0/s1
InChIKeyRUTXFTZEGFGMGZ-OJBNZGHXSA-N
MW236.31 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (PubChem CID 102065194) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
PubChem CID102065194
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-9(14)13(17)15(3)10(2)12(16)11-7-5-4-6-8-11/h4-10,12,16H,14H2,1-3H3/t9?,10-,12+/m0/s1
InChIKeyRUTXFTZEGFGMGZ-OJBNZGHXSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
CID 102065925
(2R)-2-amino-3-[dimethyl(phenyl)silyl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
CID 2755269
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
CID 54856773
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (CID 102065194) is 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is CC(N)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The InChIKey is RUTXFTZEGFGMGZ-OJBNZGHXSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(14)13(17)15(3)10(2)12(16)11-7-5-4-6-8-11/h4-10,12,16H,14H2,1-3H3/t9?,10-,12+/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 102065194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).