2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide

C16H25NO3 — CID 63651841

IUPAC2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(C)ccc1C(C)O
InChIInChI=1S/C16H25NO3/c1-5-6-12(3)17-16(19)10-20-15-9-11(2)7-8-14(15)13(4)18/h7-9,12-13,18H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyGXHXEEFLDCRVEW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide

2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide (PubChem CID 63651841) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
PubChem CID63651841
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(C)ccc1C(C)O
InChIInChI=1S/C16H25NO3/c1-5-6-12(3)17-16(19)10-20-15-9-11(2)7-8-14(15)13(4)18/h7-9,12-13,18H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyGXHXEEFLDCRVEW-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63651171
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 77003598
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63650448
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide (CID 63651841) is 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1cc(C)ccc1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
The InChIKey is GXHXEEFLDCRVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-6-12(3)17-16(19)10-20-15-9-11(2)7-8-14(15)13(4)18/h7-9,12-13,18H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide?
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 63651841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).