N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide

C14H26N2O2 — CID 50967761

IUPACN-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide
SMILESCCOCCN1CC=C(CN(CC)C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-4-16(13(3)17)12-14-6-8-15(9-7-14)10-11-18-5-2/h6H,4-5,7-12H2,1-3H3
InChIKeyLFKFMARFRNLOFA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.52
Rot. Bonds7

About N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide

N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide (PubChem CID 50967761) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide
PubChem CID50967761
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide
SMILESCCOCCN1CC=C(CN(CC)C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-4-16(13(3)17)12-14-6-8-15(9-7-14)10-11-18-5-2/h6H,4-5,7-12H2,1-3H3
InChIKeyLFKFMARFRNLOFA-UHFFFAOYSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide (CID 50967761) is N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide is CCOCCN1CC=C(CN(CC)C(C)=O)CC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide?
The InChIKey is LFKFMARFRNLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-16(13(3)17)12-14-6-8-15(9-7-14)10-11-18-5-2/h6H,4-5,7-12H2,1-3H3.
What are the key properties of N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide?
N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 50967761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).