2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide

C17H18N2O3 — CID 136567244

IUPAC2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide
SMILESCOc1cccnc1CC(=O)NC1(c2ccccc2)COC1
InChIInChI=1S/C17H18N2O3/c1-21-15-8-5-9-18-14(15)10-16(20)19-17(11-22-12-17)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyLHQGDXCETOEHHN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.67
Rot. Bonds5

About 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide

2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide (PubChem CID 136567244) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide
PubChem CID136567244
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide
SMILESCOc1cccnc1CC(=O)NC1(c2ccccc2)COC1
InChIInChI=1S/C17H18N2O3/c1-21-15-8-5-9-18-14(15)10-16(20)19-17(11-22-12-17)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyLHQGDXCETOEHHN-UHFFFAOYSA-N
XLogP1.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide?
The IUPAC name of 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide (CID 136567244) is 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide.
What is the SMILES notation for 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide?
The canonical SMILES for 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide is COc1cccnc1CC(=O)NC1(c2ccccc2)COC1.
What is the InChIKey of 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide?
The InChIKey is LHQGDXCETOEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-8-5-9-18-14(15)10-16(20)19-17(11-22-12-17)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide?
2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-pyridinyl)-N-(3-phenyloxetan-3-yl)acetamide is sourced from PubChem (CID 136567244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).