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

C16H26N2O2 — CID 65462286

IUPAC4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1(C)C(=O)NC2(CCCCC2)C(=O)N1CC1CCC1
InChIInChI=1S/C16H26N2O2/c1-15(2)13(19)17-16(9-4-3-5-10-16)14(20)18(15)11-12-7-6-8-12/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyPDXLSHUSOYWMIT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds2

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

4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 65462286) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID65462286
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1(C)C(=O)NC2(CCCCC2)C(=O)N1CC1CCC1
InChIInChI=1S/C16H26N2O2/c1-15(2)13(19)17-16(9-4-3-5-10-16)14(20)18(15)11-12-7-6-8-12/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyPDXLSHUSOYWMIT-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 65462286) is 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1(C)C(=O)NC2(CCCCC2)C(=O)N1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is PDXLSHUSOYWMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2)13(19)17-16(9-4-3-5-10-16)14(20)18(15)11-12-7-6-8-12/h12H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 65462286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).