1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone

C14H19NO3 — CID 108730604

IUPAC1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCOC1CCN(C(=O)COc2ccc(C)cc2)C1
InChIInChI=1S/C14H19NO3/c1-11-3-5-12(6-4-11)18-10-14(16)15-8-7-13(9-15)17-2/h3-6,13H,7-10H2,1-2H3
InChIKeyPCKACGZKWSLHFY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds4

About 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone

1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 108730604) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
PubChem CID108730604
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCOC1CCN(C(=O)COc2ccc(C)cc2)C1
InChIInChI=1S/C14H19NO3/c1-11-3-5-12(6-4-11)18-10-14(16)15-8-7-13(9-15)17-2/h3-6,13H,7-10H2,1-2H3
InChIKeyPCKACGZKWSLHFY-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530186
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90616528
2-(4-chloro-3,5-dimethylphenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 108754234
2-(4-methylphenoxy)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150572
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 167987352
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone (CID 108730604) is 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone is COC1CCN(C(=O)COc2ccc(C)cc2)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is PCKACGZKWSLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-3-5-12(6-4-11)18-10-14(16)15-8-7-13(9-15)17-2/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone?
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 108730604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).