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

C23H26N2O3 — CID 155999107

IUPAC9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccccc1CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C23H26N2O3/c1-18-7-5-6-8-19(18)15-21(26)24-13-11-23(12-14-24)17-25(22(27)16-28-23)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3
InChIKeyRCLQJWCEWYZJAA-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.96
Rot. Bonds3

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

9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155999107) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155999107
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccccc1CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C23H26N2O3/c1-18-7-5-6-8-19(18)15-21(26)24-13-11-23(12-14-24)17-25(22(27)16-28-23)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3
InChIKeyRCLQJWCEWYZJAA-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155999107) is 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1ccccc1CC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RCLQJWCEWYZJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18-7-5-6-8-19(18)15-21(26)24-13-11-23(12-14-24)17-25(22(27)16-28-23)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3.
What are the key properties of 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 378.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).