2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

C17H26N4O2 — CID 118739200

IUPAC2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCc1cnc(N2CCC3(CC2)CC(NC(=O)C(C)C)CO3)nc1
InChIInChI=1S/C17H26N4O2/c1-12(2)15(22)20-14-8-17(23-11-14)4-6-21(7-5-17)16-18-9-13(3)10-19-16/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyGRLSRURHOBYJGW-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (PubChem CID 118739200) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
PubChem CID118739200
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCc1cnc(N2CCC3(CC2)CC(NC(=O)C(C)C)CO3)nc1
InChIInChI=1S/C17H26N4O2/c1-12(2)15(22)20-14-8-17(23-11-14)4-6-21(7-5-17)16-18-9-13(3)10-19-16/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyGRLSRURHOBYJGW-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (CID 118739200) is 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is Cc1cnc(N2CCC3(CC2)CC(NC(=O)C(C)C)CO3)nc1.
What is the InChIKey of 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is GRLSRURHOBYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)15(22)20-14-8-17(23-11-14)4-6-21(7-5-17)16-18-9-13(3)10-19-16/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22).
What are the key properties of 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 118739200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).