(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone

C14H19NO4 — CID 162818233

IUPAC(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOCC(OC)C2)c1
InChIInChI=1S/C14H19NO4/c1-17-12-5-3-4-11(8-12)14(16)15-6-7-19-10-13(9-15)18-2/h3-5,8,13H,6-7,9-10H2,1-2H3
InChIKeyLKEHDLMGRGZRAK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds3

About (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone

(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone (PubChem CID 162818233) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
PubChem CID162818233
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOCC(OC)C2)c1
InChIInChI=1S/C14H19NO4/c1-17-12-5-3-4-11(8-12)14(16)15-6-7-19-10-13(9-15)18-2/h3-5,8,13H,6-7,9-10H2,1-2H3
InChIKeyLKEHDLMGRGZRAK-UHFFFAOYSA-N
XLogP1.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75411585
(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide
CID 75536887
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
1-[(12S,13S,14S)-13,14-dihydroxy-12-methoxy-6-(3-methoxybenzoyl)-1-oxa-6,10-diazacyclopentadec-10-yl]ethanone
CID 155995669
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95714397
[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone (CID 162818233) is (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCOCC(OC)C2)c1.
What is the InChIKey of (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone?
The InChIKey is LKEHDLMGRGZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-5-3-4-11(8-12)14(16)15-6-7-19-10-13(9-15)18-2/h3-5,8,13H,6-7,9-10H2,1-2H3.
What are the key properties of (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone?
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 162818233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).