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

C21H22N2O3 — CID 56911386

IUPAC3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1ccccc1-c1ccccc1C(=O)N1CCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C21H22N2O3/c1-15-7-3-4-8-16(15)17-9-5-6-10-18(17)19(24)23-12-11-21(14-23)13-22(2)20(25)26-21/h3-10H,11-14H2,1-2H3
InChIKeyOYVDNNAGVPNUFF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.33
Rot. Bonds2

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

3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56911386) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56911386
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1ccccc1-c1ccccc1C(=O)N1CCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C21H22N2O3/c1-15-7-3-4-8-16(15)17-9-5-6-10-18(17)19(24)23-12-11-21(14-23)13-22(2)20(25)26-21/h3-10H,11-14H2,1-2H3
InChIKeyOYVDNNAGVPNUFF-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
(5R)-3-methyl-N-[3-(2-methylphenyl)phenyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125156795
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
(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
7-methyl-2-[2-(1H-pyrazol-4-yl)benzoyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 138056892
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125025104
3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56893691
(5S)-3-methyl-7-[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56911386) is 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CN(C)C(=O)O2)C1.
What is the InChIKey of 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is OYVDNNAGVPNUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-7-3-4-8-16(15)17-9-5-6-10-18(17)19(24)23-12-11-21(14-23)13-22(2)20(25)26-21/h3-10H,11-14H2,1-2H3.
What are the key properties of 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56911386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).