2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O3 — CID 72889523

IUPAC2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-13(2)5-9-21-11-18(7-4-15(21)23)6-3-8-22(12-18)16(24)14-10-19-17(25)20-14/h10,13H,3-9,11-12H2,1-2H3,(H2,19,20,25)
InChIKeyMDGHPNYBVTWRGM-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72889523) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72889523
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-13(2)5-9-21-11-18(7-4-15(21)23)6-3-8-22(12-18)16(24)14-10-19-17(25)20-14/h10,13H,3-9,11-12H2,1-2H3,(H2,19,20,25)
InChIKeyMDGHPNYBVTWRGM-UHFFFAOYSA-N
XLogP1.59
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72889523) is 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MDGHPNYBVTWRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(2)5-9-21-11-18(7-4-15(21)23)6-3-8-22(12-18)16(24)14-10-19-17(25)20-14/h10,13H,3-9,11-12H2,1-2H3,(H2,19,20,25).
What are the key properties of 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72889523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).