2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one

C15H27N3O2 — CID 42676871

IUPAC2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCC(=O)N1CCC2(CC1)NC(C)C(=O)N2CC(C)C
InChIInChI=1S/C15H27N3O2/c1-5-13(19)17-8-6-15(7-9-17)16-12(4)14(20)18(15)10-11(2)3/h11-12,16H,5-10H2,1-4H3
InChIKeyATBNRSKKDQLZPZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one

2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 42676871) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID42676871
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCC(=O)N1CCC2(CC1)NC(C)C(=O)N2CC(C)C
InChIInChI=1S/C15H27N3O2/c1-5-13(19)17-8-6-15(7-9-17)16-12(4)14(20)18(15)10-11(2)3/h11-12,16H,5-10H2,1-4H3
InChIKeyATBNRSKKDQLZPZ-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 42676871) is 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one is CCC(=O)N1CCC2(CC1)NC(C)C(=O)N2CC(C)C.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is ATBNRSKKDQLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-13(19)17-8-6-15(7-9-17)16-12(4)14(20)18(15)10-11(2)3/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one?
2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 281.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42676871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).