2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide

C15H23NO4 — CID 61489494

IUPAC2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)C(C)C)c(CO)c1
InChIInChI=1S/C15H23NO4/c1-10(2)11(3)16-15(18)9-20-14-6-5-13(19-4)7-12(14)8-17/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyLEQKICRXYFMULT-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.73
Rot. Bonds7

About 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489494) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489494
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)C(C)C)c(CO)c1
InChIInChI=1S/C15H23NO4/c1-10(2)11(3)16-15(18)9-20-14-6-5-13(19-4)7-12(14)8-17/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyLEQKICRXYFMULT-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
CID 61490000
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63364548
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 78933810
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 61489494) is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide is COc1ccc(OCC(=O)NC(C)C(C)C)c(CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LEQKICRXYFMULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(2)11(3)16-15(18)9-20-14-6-5-13(19-4)7-12(14)8-17/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 281.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).