2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone

C20H23NO2 — CID 82051054

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H23NO2/c1-15-12-21(13-16(2)23-15)14-20(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeySJBVNKJMZXGNIM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.65
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 82051054) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
PubChem CID82051054
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H23NO2/c1-15-12-21(13-16(2)23-15)14-20(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeySJBVNKJMZXGNIM-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050428
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1488902
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone (CID 82051054) is 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone is CC1CN(CC(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is SJBVNKJMZXGNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-12-21(13-16(2)23-15)14-20(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 82051054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).