1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone

C21H25NO5 — CID 75411631

IUPAC1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCOC[C@H](Oc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C21H25NO5/c1-24-17-5-3-16(4-6-17)13-21(23)22-11-12-26-15-20(14-22)27-19-9-7-18(25-2)8-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m1/s1
InChIKeyBAMMNBKGBJVGQM-HXUWFJFHSA-N
MW371.43 g/mol
LogP2.55
Rot. Bonds6

About 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone

1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 75411631) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID75411631
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCOC[C@H](Oc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C21H25NO5/c1-24-17-5-3-16(4-6-17)13-21(23)22-11-12-26-15-20(14-22)27-19-9-7-18(25-2)8-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m1/s1
InChIKeyBAMMNBKGBJVGQM-HXUWFJFHSA-N
XLogP2.55
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]ethanone
CID 75367643
[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-(1,2-oxazol-5-yl)methanone
CID 75411635
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
(2-ethyl-5-methylpyrazol-3-yl)-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 75367743
(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 162813442
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone (CID 75411631) is 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCOC[C@H](Oc3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is BAMMNBKGBJVGQM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-17-5-3-16(4-6-17)13-21(23)22-11-12-26-15-20(14-22)27-19-9-7-18(25-2)8-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone?
1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 371.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 75411631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).