3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C18H18N2O5 — CID 56893691

IUPAC3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)OC1=O
InChIInChI=1S/C18H18N2O5/c1-19-11-18(25-17(19)22)9-10-20(12-18)16(21)14-7-8-15(24-14)23-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyGVOKMGPJKOOEMX-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.74
Rot. Bonds3

About 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56893691) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56893691
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)OC1=O
InChIInChI=1S/C18H18N2O5/c1-19-11-18(25-17(19)22)9-10-20(12-18)16(21)14-7-8-15(24-14)23-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyGVOKMGPJKOOEMX-UHFFFAOYSA-N
XLogP2.74
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 56752988
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-phenoxyfuran-2-yl)methanone
CID 135098413
(5S)-7-(1-tert-butylpyrrole-3-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95716743
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90648661

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56893691) is 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)OC1=O.
What is the InChIKey of 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is GVOKMGPJKOOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-19-11-18(25-17(19)22)9-10-20(12-18)16(21)14-7-8-15(24-14)23-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 342.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56893691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).