2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide

C20H31NO3 — CID 131934224

IUPAC2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
SMILESCCC(C)c1ccccc1OCC(=O)N(C)CC1(CO)CCCC1
InChIInChI=1S/C20H31NO3/c1-4-16(2)17-9-5-6-10-18(17)24-13-19(23)21(3)14-20(15-22)11-7-8-12-20/h5-6,9-10,16,22H,4,7-8,11-15H2,1-3H3
InChIKeyRHZVYZLUWMBGBG-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.59
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide

2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide (PubChem CID 131934224) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
PubChem CID131934224
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
SMILESCCC(C)c1ccccc1OCC(=O)N(C)CC1(CO)CCCC1
InChIInChI=1S/C20H31NO3/c1-4-16(2)17-9-5-6-10-18(17)24-13-19(23)21(3)14-20(15-22)11-7-8-12-20/h5-6,9-10,16,22H,4,7-8,11-15H2,1-3H3
InChIKeyRHZVYZLUWMBGBG-UHFFFAOYSA-N
XLogP3.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea
CID 122562663
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932557
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 60988957
2-[1-(2-butan-2-ylphenoxy)cyclobutyl]acetic acid
CID 103272405
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
CID 103484893
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
2-[(2-butan-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 103066748
2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
CID 43413886
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide (CID 131934224) is 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide is CCC(C)c1ccccc1OCC(=O)N(C)CC1(CO)CCCC1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
The InChIKey is RHZVYZLUWMBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-4-16(2)17-9-5-6-10-18(17)24-13-19(23)21(3)14-20(15-22)11-7-8-12-20/h5-6,9-10,16,22H,4,7-8,11-15H2,1-3H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide?
2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide has a molecular weight of 333.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide is sourced from PubChem (CID 131934224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).