N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide

C12H17NO3 — CID 101173549

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-16-9-12(15)13-11(8-14)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyOVKSGVHSJDTAPF-LLVKDONJSA-N
MW223.27 g/mol
LogP0.35
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide (PubChem CID 101173549) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
PubChem CID101173549
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-16-9-12(15)13-11(8-14)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyOVKSGVHSJDTAPF-LLVKDONJSA-N
XLogP0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate
CID 156622371
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
CID 102673901
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide (CID 101173549) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide?
The InChIKey is OVKSGVHSJDTAPF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-9-12(15)13-11(8-14)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide has a molecular weight of 223.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 101173549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).