[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate

C15H24N2O4 — CID 19862608

IUPAC[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
SMILESCCOCCn1ccc(=O)c(OC(=O)N(CC)CC)c1C
InChIInChI=1S/C15H24N2O4/c1-5-16(6-2)15(19)21-14-12(4)17(9-8-13(14)18)10-11-20-7-3/h8-9H,5-7,10-11H2,1-4H3
InChIKeyQAKMJLFWMZNHII-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.03
Rot. Bonds7

About [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate

[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate (PubChem CID 19862608) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
PubChem CID19862608
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
SMILESCCOCCn1ccc(=O)c(OC(=O)N(CC)CC)c1C
InChIInChI=1S/C15H24N2O4/c1-5-16(6-2)15(19)21-14-12(4)17(9-8-13(14)18)10-11-20-7-3/h8-9H,5-7,10-11H2,1-4H3
InChIKeyQAKMJLFWMZNHII-UHFFFAOYSA-N
XLogP2.03
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate?
The IUPAC name of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate (CID 19862608) is [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate.
What is the SMILES notation for [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate?
The canonical SMILES for [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate is CCOCCn1ccc(=O)c(OC(=O)N(CC)CC)c1C.
What is the InChIKey of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate?
The InChIKey is QAKMJLFWMZNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-16(6-2)15(19)21-14-12(4)17(9-8-13(14)18)10-11-20-7-3/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate?
[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate has a molecular weight of 296.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate is sourced from PubChem (CID 19862608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).