3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H24N2O3 — CID 70740003

IUPAC3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(-c2ccccc2C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1
InChIInChI=1S/C22H24N2O3/c1-16-6-5-7-17(14-16)18-8-3-4-9-19(18)20(25)24-12-10-22(11-13-24)15-23(2)21(26)27-22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyPMNRMONKQKIFCQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.72
Rot. Bonds2

About 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70740003) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70740003
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(-c2ccccc2C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1
InChIInChI=1S/C22H24N2O3/c1-16-6-5-7-17(14-16)18-8-3-4-9-19(18)20(25)24-12-10-22(11-13-24)15-23(2)21(26)27-22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyPMNRMONKQKIFCQ-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
CID 138385530
[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91786244
(5R)-3-methyl-N-[3-(2-methylphenyl)phenyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125156795
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90648661
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
3-methyl-9-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171912914
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 135120241
7-methyl-2-[2-(1H-pyrazol-4-yl)benzoyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 138056892
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
8-(2,3-dimethylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902227
[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 86286591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70740003) is 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cccc(-c2ccccc2C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1.
What is the InChIKey of 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PMNRMONKQKIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-6-5-7-17(14-16)18-8-3-4-9-19(18)20(25)24-12-10-22(11-13-24)15-23(2)21(26)27-22/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70740003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).