2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C12H22N2O3 — CID 114409793

IUPAC2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C12H22N2O3/c1-16-8-5-13-9-12(15)14-6-3-11(4-7-14)10-17-2/h3,13H,4-10H2,1-2H3
InChIKeyKBVIPAQNWSCAFU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.03
Rot. Bonds7

About 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114409793) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114409793
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C12H22N2O3/c1-16-8-5-13-9-12(15)14-6-3-11(4-7-14)10-17-2/h3,13H,4-10H2,1-2H3
InChIKeyKBVIPAQNWSCAFU-UHFFFAOYSA-N
XLogP0.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114409793) is 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCCNCC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is KBVIPAQNWSCAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-8-5-13-9-12(15)14-6-3-11(4-7-14)10-17-2/h3,13H,4-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114409793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).