2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C16H26N4O3 — CID 72917943

IUPAC2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)C3CNC(=O)N3)CC2)CC1=O
InChIInChI=1S/C16H26N4O3/c1-11(2)9-20-10-16(7-13(20)21)3-5-19(6-4-16)14(22)12-8-17-15(23)18-12/h11-12H,3-10H2,1-2H3,(H2,17,18,23)
InChIKeyGNPHWUQQAIBJDB-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.16
Rot. Bonds3

About 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72917943) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72917943
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)C3CNC(=O)N3)CC2)CC1=O
InChIInChI=1S/C16H26N4O3/c1-11(2)9-20-10-16(7-13(20)21)3-5-19(6-4-16)14(22)12-8-17-15(23)18-12/h11-12H,3-10H2,1-2H3,(H2,17,18,23)
InChIKeyGNPHWUQQAIBJDB-UHFFFAOYSA-N
XLogP0.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72917943) is 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)C3CNC(=O)N3)CC2)CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GNPHWUQQAIBJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)9-20-10-16(7-13(20)21)3-5-19(6-4-16)14(22)12-8-17-15(23)18-12/h11-12H,3-10H2,1-2H3,(H2,17,18,23).
What are the key properties of 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 322.41 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-(2-oxoimidazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72917943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).