(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C17H26N4O4 — CID 97422154

IUPAC(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCOCCNC(=O)[C@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)O1
InChIInChI=1S/C17H26N4O4/c1-23-10-7-18-16(22)13-3-4-17(25-13)5-8-21(9-6-17)14-11-15(24-2)20-12-19-14/h11-13H,3-10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyOVBXEJZQFSSNLQ-CYBMUJFWSA-N
MW350.42 g/mol
LogP0.77
Rot. Bonds6

About (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97422154) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID97422154
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCOCCNC(=O)[C@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)O1
InChIInChI=1S/C17H26N4O4/c1-23-10-7-18-16(22)13-3-4-17(25-13)5-8-21(9-6-17)14-11-15(24-2)20-12-19-14/h11-13H,3-10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyOVBXEJZQFSSNLQ-CYBMUJFWSA-N
XLogP0.77
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661616
(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 124789223
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418823
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366898
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816744
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 97422154) is (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is COCCNC(=O)[C@H]1CCC2(CCN(c3cc(OC)ncn3)CC2)O1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is OVBXEJZQFSSNLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-23-10-7-18-16(22)13-3-4-17(25-13)5-8-21(9-6-17)14-11-15(24-2)20-12-19-14/h11-13H,3-10H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97422154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).