9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one

C19H26N2O — CID 126838075

IUPAC9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
SMILESCc1ccccc1C1CC(NC2CCC(=O)NC23CCC3)C1
InChIInChI=1S/C19H26N2O/c1-13-5-2-3-6-16(13)14-11-15(12-14)20-17-7-8-18(22)21-19(17)9-4-10-19/h2-3,5-6,14-15,17,20H,4,7-12H2,1H3,(H,21,22)
InChIKeyBLXHFOXGZVDDMU-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.03
Rot. Bonds3

About 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one

9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one (PubChem CID 126838075) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
PubChem CID126838075
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
SMILESCc1ccccc1C1CC(NC2CCC(=O)NC23CCC3)C1
InChIInChI=1S/C19H26N2O/c1-13-5-2-3-6-16(13)14-11-15(12-14)20-17-7-8-18(22)21-19(17)9-4-10-19/h2-3,5-6,14-15,17,20H,4,7-12H2,1H3,(H,21,22)
InChIKeyBLXHFOXGZVDDMU-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one (CID 126838075) is 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one is Cc1ccccc1C1CC(NC2CCC(=O)NC23CCC3)C1.
What is the InChIKey of 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The InChIKey is BLXHFOXGZVDDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-5-2-3-6-16(13)14-11-15(12-14)20-17-7-8-18(22)21-19(17)9-4-10-19/h2-3,5-6,14-15,17,20H,4,7-12H2,1H3,(H,21,22).
What are the key properties of 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one has a molecular weight of 298.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 126838075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).