10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C20H28N2O4 — CID 155986252

IUPAC10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCOC(C)(C)C(=O)N1CCCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C20H28N2O4/c1-19(2,25-3)18(24)21-12-7-10-20(11-13-21)15-22(17(23)14-26-20)16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3
InChIKeyRUWQRAOYOZTLCN-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.23
Rot. Bonds3

About 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986252) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986252
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCOC(C)(C)C(=O)N1CCCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C20H28N2O4/c1-19(2,25-3)18(24)21-12-7-10-20(11-13-21)15-22(17(23)14-26-20)16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3
InChIKeyRUWQRAOYOZTLCN-UHFFFAOYSA-N
XLogP2.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985877
10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986368
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
(6S)-10-(2-anilinobenzoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454295
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041
10-[3-(3-methylpyrazol-1-yl)propanoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999641
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984314
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
10-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110151048
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818

Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986252) is 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is COC(C)(C)C(=O)N1CCCC2(CC1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is RUWQRAOYOZTLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-19(2,25-3)18(24)21-12-7-10-20(11-13-21)15-22(17(23)14-26-20)16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3.
What are the key properties of 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 360.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).