2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide

C13H19NO3 — CID 94687173

IUPAC2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccc(OCCNC(=O)CO)cc1
InChIInChI=1S/C13H19NO3/c1-10(2)11-3-5-12(6-4-11)17-8-7-14-13(16)9-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyOROKVMJBPCRCJG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds6

About 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide

2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide (PubChem CID 94687173) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
PubChem CID94687173
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccc(OCCNC(=O)CO)cc1
InChIInChI=1S/C13H19NO3/c1-10(2)11-3-5-12(6-4-11)17-8-7-14-13(16)9-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyOROKVMJBPCRCJG-UHFFFAOYSA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
CID 60571529
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 111618593
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
The IUPAC name of 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide (CID 94687173) is 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide is CC(C)c1ccc(OCCNC(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
The InChIKey is OROKVMJBPCRCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)11-3-5-12(6-4-11)17-8-7-14-13(16)9-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide?
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide is sourced from PubChem (CID 94687173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).