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

C16H24N2O6 — CID 19862586

IUPACethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
SMILESCCOCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C
InChIInChI=1S/C16H24N2O6/c1-4-22-10-6-8-18-9-7-13(19)15(12(18)3)24-16(21)17-11-14(20)23-5-2/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21)
InChIKeyQVEGBZBTCUOMJO-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.23
Rot. Bonds9

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

ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate (PubChem CID 19862586) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
PubChem CID19862586
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Nameethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
SMILESCCOCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C
InChIInChI=1S/C16H24N2O6/c1-4-22-10-6-8-18-9-7-13(19)15(12(18)3)24-16(21)17-11-14(20)23-5-2/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21)
InChIKeyQVEGBZBTCUOMJO-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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Related Compounds

Ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
CID 19862585
3-(ethoxycarbonylmethylaminocarbonyloxy)-1,2-dimethyl-4(1H)-pyridinone
CID 19862590
Ethyl 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
CID 19862595
Ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862596
Ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862597
Ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
CID 19862599
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(3-ethoxypropyl)-2-methyl-4(1H)-pyridinone hydrochloride
CID 19862601
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 19862602
[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862604
3-(ethoxycarbonylmethylaminocarbonyloxy)-2-ethyl-1-methyl-4(1H)-pyridinone
CID 19862606
Ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
CID 19862607
[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862608

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate (CID 19862586) is ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate is CCOCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C.
What is the InChIKey of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
The InChIKey is QVEGBZBTCUOMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-4-22-10-6-8-18-9-7-13(19)15(12(18)3)24-16(21)17-11-14(20)23-5-2/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21).
What are the key properties of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate?
ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate 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 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate is sourced from PubChem (CID 19862586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).