9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

C18H28N4O2 — CID 118738938

IUPAC9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCc1cnc(N2CCC3(CCC(C(=O)NC(C)C)OC3)CC2)nc1
InChIInChI=1S/C18H28N4O2/c1-13(2)21-16(23)15-4-5-18(12-24-15)6-8-22(9-7-18)17-19-10-14(3)11-20-17/h10-11,13,15H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyVXIWWQQUSJPBAQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.08
Rot. Bonds3

About 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 118738938) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
PubChem CID118738938
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCc1cnc(N2CCC3(CCC(C(=O)NC(C)C)OC3)CC2)nc1
InChIInChI=1S/C18H28N4O2/c1-13(2)21-16(23)15-4-5-18(12-24-15)6-8-22(9-7-18)17-19-10-14(3)11-20-17/h10-11,13,15H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyVXIWWQQUSJPBAQ-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (CID 118738938) is 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is Cc1cnc(N2CCC3(CCC(C(=O)NC(C)C)OC3)CC2)nc1.
What is the InChIKey of 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is VXIWWQQUSJPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)21-16(23)15-4-5-18(12-24-15)6-8-22(9-7-18)17-19-10-14(3)11-20-17/h10-11,13,15H,4-9,12H2,1-3H3,(H,21,23).
What are the key properties of 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 118738938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).