2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone

C22H27NO6 — CID 46100167

IUPAC2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
SMILESCOc1ccc(OCC2CN(C(=O)Cc3cc(OC)cc(OC)c3)CCO2)cc1
InChIInChI=1S/C22H27NO6/c1-25-17-4-6-18(7-5-17)29-15-21-14-23(8-9-28-21)22(24)12-16-10-19(26-2)13-20(11-16)27-3/h4-7,10-11,13,21H,8-9,12,14-15H2,1-3H3
InChIKeyATEPGOOPAFNJLZ-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.56
Rot. Bonds8

About 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone

2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone (PubChem CID 46100167) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
PubChem CID46100167
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
SMILESCOc1ccc(OCC2CN(C(=O)Cc3cc(OC)cc(OC)c3)CCO2)cc1
InChIInChI=1S/C22H27NO6/c1-25-17-4-6-18(7-5-17)29-15-21-14-23(8-9-28-21)22(24)12-16-10-19(26-2)13-20(11-16)27-3/h4-7,10-11,13,21H,8-9,12,14-15H2,1-3H3
InChIKeyATEPGOOPAFNJLZ-UHFFFAOYSA-N
XLogP2.56
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100350
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone (CID 46100167) is 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone is COc1ccc(OCC2CN(C(=O)Cc3cc(OC)cc(OC)c3)CCO2)cc1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone?
The InChIKey is ATEPGOOPAFNJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-25-17-4-6-18(7-5-17)29-15-21-14-23(8-9-28-21)22(24)12-16-10-19(26-2)13-20(11-16)27-3/h4-7,10-11,13,21H,8-9,12,14-15H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone?
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone has a molecular weight of 401.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 46100167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).