1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one

C18H25NO3 — CID 133143306

IUPAC1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
SMILESCOC1CCOC2(C1)CN(C(=O)CCc1ccccc1C)C2
InChIInChI=1S/C18H25NO3/c1-14-5-3-4-6-15(14)7-8-17(20)19-12-18(13-19)11-16(21-2)9-10-22-18/h3-6,16H,7-13H2,1-2H3
InChIKeyUMCLMHSTZUVUPP-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.33
Rot. Bonds4

About 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one

1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one (PubChem CID 133143306) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
PubChem CID133143306
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
SMILESCOC1CCOC2(C1)CN(C(=O)CCc1ccccc1C)C2
InChIInChI=1S/C18H25NO3/c1-14-5-3-4-6-15(14)7-8-17(20)19-12-18(13-19)11-16(21-2)9-10-22-18/h3-6,16H,7-13H2,1-2H3
InChIKeyUMCLMHSTZUVUPP-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one with MolForge

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Related Compounds

3-(2-methylphenyl)-1-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155832211
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649503
1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
CID 124822465
1-[8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692798
1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
CID 124814884
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 82015841
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
3-(2-chlorophenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97476919
3-methoxy-1-[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 124795283
3-(1,3-benzothiazol-2-yl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91907681
3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 124797121

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one (CID 133143306) is 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one is COC1CCOC2(C1)CN(C(=O)CCc1ccccc1C)C2.
What is the InChIKey of 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is UMCLMHSTZUVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-5-3-4-6-15(14)7-8-17(20)19-12-18(13-19)11-16(21-2)9-10-22-18/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one?
1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 303.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 133143306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).