9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H24N2O4 — CID 134070740

IUPAC9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)OCC(=O)N(C)C3C)cc1
InChIInChI=1S/C18H24N2O4/c1-13-18(24-12-16(21)19(13)2)8-10-20(11-9-18)17(22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyIUUNZGBVBMBOSB-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.55
Rot. Bonds2

About 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 134070740) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID134070740
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)OCC(=O)N(C)C3C)cc1
InChIInChI=1S/C18H24N2O4/c1-13-18(24-12-16(21)19(13)2)8-10-20(11-9-18)17(22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyIUUNZGBVBMBOSB-UHFFFAOYSA-N
XLogP1.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-9-(1H-pyrrole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131654568
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyphenyl)methanone
CID 124965720
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 134070740) is 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1ccc(C(=O)N2CCC3(CC2)OCC(=O)N(C)C3C)cc1.
What is the InChIKey of 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IUUNZGBVBMBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-18(24-12-16(21)19(13)2)8-10-20(11-9-18)17(22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.40 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxybenzoyl)-4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 134070740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).