1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one

C19H26N2O2 — CID 164699962

IUPAC1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cc(C)cc(CCC(=O)N2CCCC23CCCNC3=O)c1
InChIInChI=1S/C19H26N2O2/c1-14-11-15(2)13-16(12-14)5-6-17(22)21-10-4-8-19(21)7-3-9-20-18(19)23/h11-13H,3-10H2,1-2H3,(H,20,23)
InChIKeySIIJCBIWFIWABE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.51
Rot. Bonds3

About 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one

1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 164699962) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID164699962
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cc(C)cc(CCC(=O)N2CCCC23CCCNC3=O)c1
InChIInChI=1S/C19H26N2O2/c1-14-11-15(2)13-16(12-14)5-6-17(22)21-10-4-8-19(21)7-3-9-20-18(19)23/h11-13H,3-10H2,1-2H3,(H,20,23)
InChIKeySIIJCBIWFIWABE-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one (CID 164699962) is 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1cc(C)cc(CCC(=O)N2CCCC23CCCNC3=O)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SIIJCBIWFIWABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-11-15(2)13-16(12-14)5-6-17(22)21-10-4-8-19(21)7-3-9-20-18(19)23/h11-13H,3-10H2,1-2H3,(H,20,23).
What are the key properties of 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 314.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 164699962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).