2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C12H17NO3 — CID 103944946

IUPAC2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESCCOCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-9-12(15)13-11(8-14)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyJKHPPWDNCCKASM-LLVKDONJSA-N
MW223.27 g/mol
LogP0.87
Rot. Bonds6

About 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 103944946) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID103944946
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESCCOCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-9-12(15)13-11(8-14)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKeyJKHPPWDNCCKASM-LLVKDONJSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
N-(2-amino-1-phenylethyl)-2-ethoxyacetamide
CID 63755765
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945081
2-(2-methoxyethoxy)-N-(1-phenylpropyl)acetamide
CID 103612351
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 61119625
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 103944946) is 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is CCOCC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is JKHPPWDNCCKASM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-16-9-12(15)13-11(8-14)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m1/s1.
What are the key properties of 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 103944946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).