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

C17H30N2O2 — CID 64874606

IUPAC1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)CN1C(=O)C(C(C)C)NC(=O)C12CCCCC2
InChIInChI=1S/C17H30N2O2/c1-5-13(4)11-19-15(20)14(12(2)3)18-16(21)17(19)9-7-6-8-10-17/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyZXWLFYRFOMZZGK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds4

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

1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64874606) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64874606
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)CN1C(=O)C(C(C)C)NC(=O)C12CCCCC2
InChIInChI=1S/C17H30N2O2/c1-5-13(4)11-19-15(20)14(12(2)3)18-16(21)17(19)9-7-6-8-10-17/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyZXWLFYRFOMZZGK-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301
3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874601
6-(cyclobutylmethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 65463300
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
6-(2,2-difluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64875299
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903245
3-tert-butyl-1-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903246
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64874606) is 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC(C)CN1C(=O)C(C(C)C)NC(=O)C12CCCCC2.
What is the InChIKey of 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is ZXWLFYRFOMZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-13(4)11-19-15(20)14(12(2)3)18-16(21)17(19)9-7-6-8-10-17/h12-14H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64874606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).