[(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate

C17H19NO3 — CID 58170276

IUPAC[(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C17H19NO3/c1-12(2)18-10-9-15(11-16(18)20)17(21-13(3)19)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyYTEOFSFSQBSLIX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.08
Rot. Bonds4

About [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate

[(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate (PubChem CID 58170276) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate.

Molecular Properties

Compound Name[(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate
PubChem CID58170276
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C17H19NO3/c1-12(2)18-10-9-15(11-16(18)20)17(21-13(3)19)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyYTEOFSFSQBSLIX-UHFFFAOYSA-N
XLogP3.08
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate?
The IUPAC name of [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate (CID 58170276) is [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate.
What is the SMILES notation for [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate?
The canonical SMILES for [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate is CC(=O)OC(c1ccccc1)c1ccn(C(C)C)c(=O)c1.
What is the InChIKey of [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate?
The InChIKey is YTEOFSFSQBSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)18-10-9-15(11-16(18)20)17(21-13(3)19)14-7-5-4-6-8-14/h4-12,17H,1-3H3.
What are the key properties of [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate?
[(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate has a molecular weight of 285.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxo-1-propan-2-yl-4-pyridinyl)-phenylmethyl] acetate is sourced from PubChem (CID 58170276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).