2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide

C16H24N4O4 — CID 124788909

IUPAC2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1CCC2(CN(c3cc(OC)ncn3)C2)OC1
InChIInChI=1S/C16H24N4O4/c1-22-8-14(21)17-6-12-3-4-16(24-7-12)9-20(10-16)13-5-15(23-2)19-11-18-13/h5,11-12H,3-4,6-10H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyFYTBVVIRUHTDIB-GFCCVEGCSA-N
MW336.39 g/mol
LogP0.23
Rot. Bonds6

About 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide

2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide (PubChem CID 124788909) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide
PubChem CID124788909
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1CCC2(CN(c3cc(OC)ncn3)C2)OC1
InChIInChI=1S/C16H24N4O4/c1-22-8-14(21)17-6-12-3-4-16(24-7-12)9-20(10-16)13-5-15(23-2)19-11-18-13/h5,11-12H,3-4,6-10H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyFYTBVVIRUHTDIB-GFCCVEGCSA-N
XLogP0.23
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide (CID 124788909) is 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide is COCC(=O)NC[C@H]1CCC2(CN(c3cc(OC)ncn3)C2)OC1.
What is the InChIKey of 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide?
The InChIKey is FYTBVVIRUHTDIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-22-8-14(21)17-6-12-3-4-16(24-7-12)9-20(10-16)13-5-15(23-2)19-11-18-13/h5,11-12H,3-4,6-10H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide?
2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]acetamide is sourced from PubChem (CID 124788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).