1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone

C22H27NO3 — CID 110327324

IUPAC1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CC(c3ccccc3)OCC2(C)C)cc1
InChIInChI=1S/C22H27NO3/c1-4-25-19-12-10-17(11-13-19)14-21(24)23-15-20(26-16-22(23,2)3)18-8-6-5-7-9-18/h5-13,20H,4,14-16H2,1-3H3
InChIKeyITEIJMGVHRTEQB-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.01
Rot. Bonds5

About 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone (PubChem CID 110327324) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
PubChem CID110327324
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CC(c3ccccc3)OCC2(C)C)cc1
InChIInChI=1S/C22H27NO3/c1-4-25-19-12-10-17(11-13-19)14-21(24)23-15-20(26-16-22(23,2)3)18-8-6-5-7-9-18/h5-13,20H,4,14-16H2,1-3H3
InChIKeyITEIJMGVHRTEQB-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110643790
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 86883627
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
CID 121134501
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone (CID 110327324) is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CC(c3ccccc3)OCC2(C)C)cc1.
What is the InChIKey of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
The InChIKey is ITEIJMGVHRTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-25-19-12-10-17(11-13-19)14-21(24)23-15-20(26-16-22(23,2)3)18-8-6-5-7-9-18/h5-13,20H,4,14-16H2,1-3H3.
What are the key properties of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone has a molecular weight of 353.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 110327324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).