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

C15H22N2O6 — CID 19862599

IUPACethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
SMILESCCOCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C
InChIInChI=1S/C15H22N2O6/c1-4-21-9-8-17-7-6-12(18)14(11(17)3)23-15(20)16-10-13(19)22-5-2/h6-7H,4-5,8-10H2,1-3H3,(H,16,20)
InChIKeyTWOBJTPROQBHEC-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.84
Rot. Bonds8

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

ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate (PubChem CID 19862599) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
PubChem CID19862599
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Nameethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
SMILESCCOCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C
InChIInChI=1S/C15H22N2O6/c1-4-21-9-8-17-7-6-12(18)14(11(17)3)23-15(20)16-10-13(19)22-5-2/h6-7H,4-5,8-10H2,1-3H3,(H,16,20)
InChIKeyTWOBJTPROQBHEC-UHFFFAOYSA-N
XLogP0.84
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.84
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 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate (CID 19862599) is ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate is CCOCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C.
What is the InChIKey of ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The InChIKey is TWOBJTPROQBHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-4-21-9-8-17-7-6-12(18)14(11(17)3)23-15(20)16-10-13(19)22-5-2/h6-7H,4-5,8-10H2,1-3H3,(H,16,20).
What are the key properties of ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate has a molecular weight of 326.35 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate is sourced from PubChem (CID 19862599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).