3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one

C19H28N2O3 — CID 110131152

IUPAC3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
SMILESCOCCC(=O)N1CCC2(CC1)CC(N(C)c1ccccc1)CO2
InChIInChI=1S/C19H28N2O3/c1-20(16-6-4-3-5-7-16)17-14-19(24-15-17)9-11-21(12-10-19)18(22)8-13-23-2/h3-7,17H,8-15H2,1-2H3
InChIKeyNWFQIKHBPSFCAY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.31
Rot. Bonds5

About 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one

3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 110131152) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID110131152
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
SMILESCOCCC(=O)N1CCC2(CC1)CC(N(C)c1ccccc1)CO2
InChIInChI=1S/C19H28N2O3/c1-20(16-6-4-3-5-7-16)17-14-19(24-15-17)9-11-21(12-10-19)18(22)8-13-23-2/h3-7,17H,8-15H2,1-2H3
InChIKeyNWFQIKHBPSFCAY-UHFFFAOYSA-N
XLogP2.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
1-[3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-methoxyethoxy)ethanone
CID 110138665
1-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242
1-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124954639
2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
CID 110131131
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124958394
1-[(3S)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
CID 124955447
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125006667
1-[3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 110142133
[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124980773
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124980772

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one (CID 110131152) is 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one is COCCC(=O)N1CCC2(CC1)CC(N(C)c1ccccc1)CO2.
What is the InChIKey of 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is NWFQIKHBPSFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20(16-6-4-3-5-7-16)17-14-19(24-15-17)9-11-21(12-10-19)18(22)8-13-23-2/h3-7,17H,8-15H2,1-2H3.
What are the key properties of 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 110131152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).