1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone

C18H25NO4 — CID 91797351

IUPAC1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
SMILESCc1ccccc1OC1CN(C(=O)COCC2CCCCO2)C1
InChIInChI=1S/C18H25NO4/c1-14-6-2-3-8-17(14)23-16-10-19(11-16)18(20)13-21-12-15-7-4-5-9-22-15/h2-3,6,8,15-16H,4-5,7,9-13H2,1H3
InChIKeyPJFKTYQFYWQQFM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.17
Rot. Bonds6

About 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone

1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone (PubChem CID 91797351) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
PubChem CID91797351
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
SMILESCc1ccccc1OC1CN(C(=O)COCC2CCCCO2)C1
InChIInChI=1S/C18H25NO4/c1-14-6-2-3-8-17(14)23-16-10-19(11-16)18(20)13-21-12-15-7-4-5-9-22-15/h2-3,6,8,15-16H,4-5,7,9-13H2,1H3
InChIKeyPJFKTYQFYWQQFM-UHFFFAOYSA-N
XLogP2.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 124588553
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 98314112
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124757689
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807
1-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97096911
1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
CID 96572161
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The IUPAC name of 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone (CID 91797351) is 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone is Cc1ccccc1OC1CN(C(=O)COCC2CCCCO2)C1.
What is the InChIKey of 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The InChIKey is PJFKTYQFYWQQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-14-6-2-3-8-17(14)23-16-10-19(11-16)18(20)13-21-12-15-7-4-5-9-22-15/h2-3,6,8,15-16H,4-5,7,9-13H2,1H3.
What are the key properties of 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone has a molecular weight of 319.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone is sourced from PubChem (CID 91797351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).