2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone

C22H27NO3 — CID 110364120

IUPAC2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCOC(c3ccc(C(C)C)cc3)C2)cc1
InChIInChI=1S/C22H27NO3/c1-16(2)18-6-8-19(9-7-18)21-15-23(12-13-26-21)22(24)14-17-4-10-20(25-3)11-5-17/h4-11,16,21H,12-15H2,1-3H3
InChIKeyZYAOKATUUQYDPN-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone

2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone (PubChem CID 110364120) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
PubChem CID110364120
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCOC(c3ccc(C(C)C)cc3)C2)cc1
InChIInChI=1S/C22H27NO3/c1-16(2)18-6-8-19(9-7-18)21-15-23(12-13-26-21)22(24)14-17-4-10-20(25-3)11-5-17/h4-11,16,21H,12-15H2,1-3H3
InChIKeyZYAOKATUUQYDPN-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
1-[2-(4-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110327157
methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124978039
N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 110364135
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
CID 121134501
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone (CID 110364120) is 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone is COc1ccc(CC(=O)N2CCOC(c3ccc(C(C)C)cc3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone?
The InChIKey is ZYAOKATUUQYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(2)18-6-8-19(9-7-18)21-15-23(12-13-26-21)22(24)14-17-4-10-20(25-3)11-5-17/h4-11,16,21H,12-15H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone?
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone has a molecular weight of 353.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110364120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).