1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one

C22H27NO3 — CID 110327358

IUPAC1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(c3ccccc3)OCC2(C)C)cc1
InChIInChI=1S/C22H27NO3/c1-22(2)16-26-20(18-7-5-4-6-8-18)15-23(22)21(24)14-11-17-9-12-19(25-3)13-10-17/h4-10,12-13,20H,11,14-16H2,1-3H3
InChIKeyUMFDDFQOAQRDRN-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.01
Rot. Bonds5

About 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 110327358) 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)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID110327358
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(c3ccccc3)OCC2(C)C)cc1
InChIInChI=1S/C22H27NO3/c1-22(2)16-26-20(18-7-5-4-6-8-18)15-23(22)21(24)14-11-17-9-12-19(25-3)13-10-17/h4-10,12-13,20H,11,14-16H2,1-3H3
InChIKeyUMFDDFQOAQRDRN-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-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 86883627
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one (CID 110327358) is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CC(c3ccccc3)OCC2(C)C)cc1.
What is the InChIKey of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is UMFDDFQOAQRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-22(2)16-26-20(18-7-5-4-6-8-18)15-23(22)21(24)14-11-17-9-12-19(25-3)13-10-17/h4-10,12-13,20H,11,14-16H2,1-3H3.
What are the key properties of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one 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)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110327358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).