4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide

C16H30N4O3 — CID 118740487

IUPAC4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2
InChIInChI=1S/C16H30N4O3/c1-12(2)17-14(21)19-7-5-16(6-8-19)11-20(9-10-23-16)15(22)18-13(3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyRAPVASMHKPBADQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.39
Rot. Bonds2

About 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide

4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide (PubChem CID 118740487) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide.

Molecular Properties

Compound Name4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide
PubChem CID118740487
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2
InChIInChI=1S/C16H30N4O3/c1-12(2)17-14(21)19-7-5-16(6-8-19)11-20(9-10-23-16)15(22)18-13(3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyRAPVASMHKPBADQ-UHFFFAOYSA-N
XLogP1.39
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide?
The IUPAC name of 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide (CID 118740487) is 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide.
What is the SMILES notation for 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide?
The canonical SMILES for 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide is CC(C)NC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2.
What is the InChIKey of 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide?
The InChIKey is RAPVASMHKPBADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-12(2)17-14(21)19-7-5-16(6-8-19)11-20(9-10-23-16)15(22)18-13(3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide?
4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide has a molecular weight of 326.44 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,9-N-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxamide is sourced from PubChem (CID 118740487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).