2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone

C16H23NO3 — CID 61433090

IUPAC2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCOCC1(C)C
InChIInChI=1S/C16H23NO3/c1-12-5-6-13(15(9-12)19-4)14(18)10-17-7-8-20-11-16(17,2)3/h5-6,9H,7-8,10-11H2,1-4H3
InChIKeyJYBMJHRVTRXOKC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.30
Rot. Bonds4

About 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone

2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 61433090) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID61433090
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCOCC1(C)C
InChIInChI=1S/C16H23NO3/c1-12-5-6-13(15(9-12)19-4)14(18)10-17-7-8-20-11-16(17,2)3/h5-6,9H,7-8,10-11H2,1-4H3
InChIKeyJYBMJHRVTRXOKC-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone
CID 61432852
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61432707
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
1-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62024881
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60772891
4-[2-(3,3-dimethylmorpholin-4-yl)acetyl]benzonitrile
CID 61433338

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone (CID 61433090) is 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)CN1CCOCC1(C)C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is JYBMJHRVTRXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-5-6-13(15(9-12)19-4)14(18)10-17-7-8-20-11-16(17,2)3/h5-6,9H,7-8,10-11H2,1-4H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 61433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).