ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate

C16H24N2O6 — CID 19862597

IUPACethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
SMILESCCOCCn1ccc(=O)c(OC(=O)NCCC(=O)OCC)c1C
InChIInChI=1S/C16H24N2O6/c1-4-22-11-10-18-9-7-13(19)15(12(18)3)24-16(21)17-8-6-14(20)23-5-2/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21)
InChIKeyKADQFHZGCWVOFI-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.23
Rot. Bonds9

About ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate

ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate (PubChem CID 19862597) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
PubChem CID19862597
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Nameethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
SMILESCCOCCn1ccc(=O)c(OC(=O)NCCC(=O)OCC)c1C
InChIInChI=1S/C16H24N2O6/c1-4-22-11-10-18-9-7-13(19)15(12(18)3)24-16(21)17-8-6-14(20)23-5-2/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21)
InChIKeyKADQFHZGCWVOFI-UHFFFAOYSA-N
XLogP1.23
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
The IUPAC name of ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate (CID 19862597) is ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate is CCOCCn1ccc(=O)c(OC(=O)NCCC(=O)OCC)c1C.
What is the InChIKey of ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
The InChIKey is KADQFHZGCWVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-4-22-11-10-18-9-7-13(19)15(12(18)3)24-16(21)17-8-6-14(20)23-5-2/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21).
What are the key properties of ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate?
ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate has a molecular weight of 340.38 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate is sourced from PubChem (CID 19862597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).