1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

C15H21NO3 — CID 112537756

IUPAC1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCOCC1COCCN1C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-12-3-5-13(6-4-12)9-15(17)16-7-8-19-11-14(16)10-18-2/h3-6,14H,7-11H2,1-2H3
InChIKeyAMLJHFYMQZNLSC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds4

About 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (PubChem CID 112537756) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
PubChem CID112537756
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCOCC1COCCN1C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H21NO3/c1-12-3-5-13(6-4-12)9-15(17)16-7-8-19-11-14(16)10-18-2/h3-6,14H,7-11H2,1-2H3
InChIKeyAMLJHFYMQZNLSC-UHFFFAOYSA-N
XLogP1.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 112537732
4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63591050
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone
CID 97040365
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 90437692
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (CID 112537756) is 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is COCC1COCCN1C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is AMLJHFYMQZNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-3-5-13(6-4-12)9-15(17)16-7-8-19-11-14(16)10-18-2/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 112537756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).