2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

C16H25NO3 — CID 63651171

IUPAC2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(C(C)O)c(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H25NO3/c1-10(2)12(4)17-16(19)9-20-15-8-11(3)6-7-14(15)13(5)18/h6-8,10,12-13,18H,9H2,1-5H3,(H,17,19)
InChIKeyQQHNFHNPLWHGCR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 63651171) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID63651171
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(C(C)O)c(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H25NO3/c1-10(2)12(4)17-16(19)9-20-15-8-11(3)6-7-14(15)13(5)18/h6-8,10,12-13,18H,9H2,1-5H3,(H,17,19)
InChIKeyQQHNFHNPLWHGCR-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63650448
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 77003672
4-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-methylbutanamide
CID 78953868
N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82914156
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 78933810
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63364548
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 63651171) is 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide is Cc1ccc(C(C)O)c(OCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is QQHNFHNPLWHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10(2)12(4)17-16(19)9-20-15-8-11(3)6-7-14(15)13(5)18/h6-8,10,12-13,18H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.59, 6 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63651171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).