3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

C12H20N2O3 — CID 14956861

IUPAC3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C12H20N2O3/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12/h5-8H2,1-4H3
InChIKeyOAKOJUCCQRBCCT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.23
Rot. Bonds

About 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 14956861) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID14956861
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C12H20N2O3/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12/h5-8H2,1-4H3
InChIKeyOAKOJUCCQRBCCT-UHFFFAOYSA-N
XLogP1.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione (CID 14956861) is 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O.
What is the InChIKey of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OAKOJUCCQRBCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12/h5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 14956861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).