N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide

C16H23NO3 — CID 115878097

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2(CO)CCC2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-11-7-12(2)15(13(3)8-11)20-9-14(19)17-16(10-18)5-4-6-16/h7-8,18H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyVXCSVSTYHHTCEZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 115878097) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID115878097
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2(CO)CCC2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-11-7-12(2)15(13(3)8-11)20-9-14(19)17-16(10-18)5-4-6-16/h7-8,18H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyVXCSVSTYHHTCEZ-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119567203
2-(2,6-dimethylphenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517015
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954073
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 66177734
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 115878097) is N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NC2(CO)CCC2)c(C)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is VXCSVSTYHHTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-12(2)15(13(3)8-11)20-9-14(19)17-16(10-18)5-4-6-16/h7-8,18H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 115878097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).