2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone

C20H23NO3 — CID 110728463

IUPAC2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCOC(c3ccccc3)C2C)c1
InChIInChI=1S/C20H23NO3/c1-15-7-6-10-18(13-15)24-14-19(22)21-11-12-23-20(16(21)2)17-8-4-3-5-9-17/h3-10,13,16,20H,11-12,14H2,1-2H3
InChIKeyXJLMLCTWLNQMHC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds4

About 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone

2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone (PubChem CID 110728463) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
PubChem CID110728463
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCOC(c3ccccc3)C2C)c1
InChIInChI=1S/C20H23NO3/c1-15-7-6-10-18(13-15)24-14-19(22)21-11-12-23-20(16(21)2)17-8-4-3-5-9-17/h3-10,13,16,20H,11-12,14H2,1-2H3
InChIKeyXJLMLCTWLNQMHC-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
1-(2,3-dimethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 120572759
1-(3-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 110728423
2-(dimethylamino)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
CID 170895902
2-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 106741951
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
4-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 114421374
2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
2-(3-methylphenoxy)-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155508862
(3R,4R)-4-cyclopropyl-1-[2-(3-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 120978568
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone (CID 110728463) is 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone is Cc1cccc(OCC(=O)N2CCOC(c3ccccc3)C2C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
The InChIKey is XJLMLCTWLNQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-7-6-10-18(13-15)24-14-19(22)21-11-12-23-20(16(21)2)17-8-4-3-5-9-17/h3-10,13,16,20H,11-12,14H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110728463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).