1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C17H28N2O2 — CID 65463301

IUPAC1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)C1NC(=O)C2(CCCCC2)N(CC2CCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-12(2)14-15(20)19(11-13-7-6-8-13)17(16(21)18-14)9-4-3-5-10-17/h12-14H,3-11H2,1-2H3,(H,18,21)
InChIKeyOVCJUBMJNWLZHV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 65463301) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID65463301
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)C1NC(=O)C2(CCCCC2)N(CC2CCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-12(2)14-15(20)19(11-13-7-6-8-13)17(16(21)18-14)9-4-3-5-10-17/h12-14H,3-11H2,1-2H3,(H,18,21)
InChIKeyOVCJUBMJNWLZHV-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 65463301) is 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)C1NC(=O)C2(CCCCC2)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is OVCJUBMJNWLZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)14-15(20)19(11-13-7-6-8-13)17(16(21)18-14)9-4-3-5-10-17/h12-14H,3-11H2,1-2H3,(H,18,21).
What are the key properties of 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 65463301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).