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

C14H21NO3 — CID 60623787

IUPAC2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)11(3)15-14(17)9-18-13-6-4-12(8-16)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyJJULVEMKXZECGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds6

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

2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60623787) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID60623787
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)11(3)15-14(17)9-18-13-6-4-12(8-16)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyJJULVEMKXZECGA-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2640139
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2640140
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 60623787) is 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is JJULVEMKXZECGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)11(3)15-14(17)9-18-13-6-4-12(8-16)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60623787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).