N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide

C16H24N4O2 — CID 110131080

IUPACN-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(=O)N(C)C1CCOC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-13(21)19(2)14-4-11-22-16(12-14)5-9-20(10-6-16)15-17-7-3-8-18-15/h3,7-8,14H,4-6,9-12H2,1-2H3
InChIKeyPBGJBYRXQPZIMP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide

N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 110131080) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
PubChem CID110131080
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(=O)N(C)C1CCOC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-13(21)19(2)14-4-11-22-16(12-14)5-9-20(10-6-16)15-17-7-3-8-18-15/h3,7-8,14H,4-6,9-12H2,1-2H3
InChIKeyPBGJBYRXQPZIMP-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide (CID 110131080) is N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide is CC(=O)N(C)C1CCOC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is PBGJBYRXQPZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(21)19(2)14-4-11-22-16(12-14)5-9-20(10-6-16)15-17-7-3-8-18-15/h3,7-8,14H,4-6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 110131080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).