[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate

C19H23NO4 — CID 8986783

IUPAC[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESO=C(Cn1ccccc1=O)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO4/c21-16(12-24-18(23)11-20-4-2-1-3-17(20)22)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2
InChIKeyBVCADSKJUUZBNU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds5

About [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate

[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8986783) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8986783
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESO=C(Cn1ccccc1=O)OCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO4/c21-16(12-24-18(23)11-20-4-2-1-3-17(20)22)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2
InChIKeyBVCADSKJUUZBNU-UHFFFAOYSA-N
XLogP2.18
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate (CID 8986783) is [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate is O=C(Cn1ccccc1=O)OCC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is BVCADSKJUUZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-16(12-24-18(23)11-20-4-2-1-3-17(20)22)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2.
What are the key properties of [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate?
[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 329.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8986783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).