2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide

C13H19NO3 — CID 111472051

IUPAC2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCCOCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-17-10-13(16)14-9-8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H,14,16)
InChIKeyIUWLYGTVZCJVSK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds7

About 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide

2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide (PubChem CID 111472051) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
PubChem CID111472051
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCCOCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-17-10-13(16)14-9-8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H,14,16)
InChIKeyIUWLYGTVZCJVSK-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
CID 60668624
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide (CID 111472051) is 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide is CCOCC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is IUWLYGTVZCJVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-17-10-13(16)14-9-8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3,(H,14,16).
What are the key properties of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide?
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 111472051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).