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

C20H20N2O4 — CID 56886874

IUPAC3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3ccccc3Oc3ccccc3)C2)OC1=O
InChIInChI=1S/C20H20N2O4/c1-21-13-20(26-19(21)24)11-12-22(14-20)18(23)16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyLWLYCOGPVPAQTP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.15
Rot. Bonds3

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

3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56886874) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56886874
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3ccccc3Oc3ccccc3)C2)OC1=O
InChIInChI=1S/C20H20N2O4/c1-21-13-20(26-19(21)24)11-12-22(14-20)18(23)16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyLWLYCOGPVPAQTP-UHFFFAOYSA-N
XLogP3.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56893691
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90648661
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
7-[2-(2-morpholin-4-ylethoxy)benzoyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110151711
(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95713149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56886874) is 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(C(=O)c3ccccc3Oc3ccccc3)C2)OC1=O.
What is the InChIKey of 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is LWLYCOGPVPAQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-21-13-20(26-19(21)24)11-12-22(14-20)18(23)16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 352.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56886874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).