1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one

C21H30N2O2 — CID 118747815

IUPAC1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2C(=O)CCC23CCC(NC2CCOC2)CC3)cc1
InChIInChI=1S/C21H30N2O2/c1-16-2-4-17(5-3-16)14-23-20(24)8-12-21(23)10-6-18(7-11-21)22-19-9-13-25-15-19/h2-5,18-19,22H,6-15H2,1H3
InChIKeyFWZHEZHBRNWMOM-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.18
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one

1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one (PubChem CID 118747815) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one
PubChem CID118747815
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2C(=O)CCC23CCC(NC2CCOC2)CC3)cc1
InChIInChI=1S/C21H30N2O2/c1-16-2-4-17(5-3-16)14-23-20(24)8-12-21(23)10-6-18(7-11-21)22-19-9-13-25-15-19/h2-5,18-19,22H,6-15H2,1H3
InChIKeyFWZHEZHBRNWMOM-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one (CID 118747815) is 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one is Cc1ccc(CN2C(=O)CCC23CCC(NC2CCOC2)CC3)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one?
The InChIKey is FWZHEZHBRNWMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-2-4-17(5-3-16)14-23-20(24)8-12-21(23)10-6-18(7-11-21)22-19-9-13-25-15-19/h2-5,18-19,22H,6-15H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one?
1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 118747815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).