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

C22H24N2O4 — CID 155986041

IUPAC9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1
InChIInChI=1S/C22H24N2O4/c1-27-19-9-5-6-17(14-19)21(26)23-12-10-22(11-13-23)16-24(20(25)15-28-22)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyHGTATQALCDCMLI-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.73
Rot. Bonds3

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

9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155986041) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155986041
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1
InChIInChI=1S/C22H24N2O4/c1-27-19-9-5-6-17(14-19)21(26)23-12-10-22(11-13-23)16-24(20(25)15-28-22)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyHGTATQALCDCMLI-UHFFFAOYSA-N
XLogP2.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110151048
9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985877
4-(3-fluorophenyl)-9-(2-methoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986050
4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985951
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986252
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(6R)-4-(4-methylphenyl)-10-[3-(pyrimidin-2-ylamino)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 124960960
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
4-(1-methylpyrazol-4-yl)-9-(pyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451125
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155986041) is 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1.
What is the InChIKey of 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HGTATQALCDCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-19-9-5-6-17(14-19)21(26)23-12-10-22(11-13-23)16-24(20(25)15-28-22)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155986041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).