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

C21H22N2O4 — CID 90648661

IUPAC7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCC3(CN(C)C(=O)O3)C2)c1
InChIInChI=1S/C21H22N2O4/c1-22-13-21(27-20(22)25)10-11-23(14-21)19(24)16-7-5-6-15(12-16)17-8-3-4-9-18(17)26-2/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyNMWNNFQPSCZFPS-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.03
Rot. Bonds3

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

7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 90648661) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID90648661
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCC3(CN(C)C(=O)O3)C2)c1
InChIInChI=1S/C21H22N2O4/c1-22-13-21(27-20(22)25)10-11-23(14-21)19(24)16-7-5-6-15(12-16)17-8-3-4-9-18(17)26-2/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyNMWNNFQPSCZFPS-UHFFFAOYSA-N
XLogP3.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125171131
(5R)-7-[3-(2-amino-6-methylpyrimidin-4-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125178317
5-[3-[(5R)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyridine-2-carbonitrile
CID 125442251
5-[3-[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyridine-2-carbonitrile
CID 125442252
(5R)-3-methyl-N-[3-(2-methylphenyl)phenyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125156795
3-methyl-9-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171912914
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-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 90648661) is 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is COc1ccccc1-c1cccc(C(=O)N2CCC3(CN(C)C(=O)O3)C2)c1.
What is the InChIKey of 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is NMWNNFQPSCZFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-13-21(27-20(22)25)10-11-23(14-21)19(24)16-7-5-6-15(12-16)17-8-3-4-9-18(17)26-2/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 366.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 90648661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).