8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one

C19H26N2O2 — CID 124889743

IUPAC8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccccc1[C@H](C)CC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C19H26N2O2/c1-14-5-3-4-6-16(14)15(2)11-18(23)21-9-7-19(8-10-21)12-17(22)20-13-19/h3-6,15H,7-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyXPHDHVZZXFMWPD-OAHLLOKOSA-N
MW314.43 g/mol
LogP2.62
Rot. Bonds3

About 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 124889743) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID124889743
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccccc1[C@H](C)CC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C19H26N2O2/c1-14-5-3-4-6-16(14)15(2)11-18(23)21-9-7-19(8-10-21)12-17(22)20-13-19/h3-6,15H,7-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyXPHDHVZZXFMWPD-OAHLLOKOSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 124889743) is 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1ccccc1[C@H](C)CC(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XPHDHVZZXFMWPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-5-3-4-6-16(14)15(2)11-18(23)21-9-7-19(8-10-21)12-17(22)20-13-19/h3-6,15H,7-13H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 314.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 124889743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).