9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H26N2O4 — CID 155985877

IUPAC9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C19H26N2O4/c1-18(2,24-3)17(23)20-11-9-19(10-12-20)14-21(16(22)13-25-19)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeySOZWDUUYYVJSSD-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.84
Rot. Bonds3

About 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155985877) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155985877
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C19H26N2O4/c1-18(2,24-3)17(23)20-11-9-19(10-12-20)14-21(16(22)13-25-19)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeySOZWDUUYYVJSSD-UHFFFAOYSA-N
XLogP1.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155985877) is 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SOZWDUUYYVJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-18(2,24-3)17(23)20-11-9-19(10-12-20)14-21(16(22)13-25-19)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxy-2-methylpropanoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155985877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).