2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

C11H20N2O3 — CID 104954989

IUPAC2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESCOCCOCC(=O)NCC1=CCNCC1
InChIInChI=1S/C11H20N2O3/c1-15-6-7-16-9-11(14)13-8-10-2-4-12-5-3-10/h2,12H,3-9H2,1H3,(H,13,14)
InChIKeyVQULNUQUAIVYEQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.31
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (PubChem CID 104954989) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
PubChem CID104954989
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESCOCCOCC(=O)NCC1=CCNCC1
InChIInChI=1S/C11H20N2O3/c1-15-6-7-16-9-11(14)13-8-10-2-4-12-5-3-10/h2,12H,3-9H2,1H3,(H,13,14)
InChIKeyVQULNUQUAIVYEQ-UHFFFAOYSA-N
XLogP-0.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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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Related Compounds

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954982
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 107486969
2-(2-aminoethoxy)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489822
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120415986
3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 71286421
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
N-[2-[2-[2-[2-[2-[2-[(4-ethylcyclohexa-1,3-dien-1-yl)methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 123500390
4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
CID 134406135
2-methoxy-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]acetamide
CID 143338086
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
CID 143852733
ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide
CID 154642916
2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
CID 167152693

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (CID 104954989) is 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is COCCOCC(=O)NCC1=CCNCC1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The InChIKey is VQULNUQUAIVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-6-7-16-9-11(14)13-8-10-2-4-12-5-3-10/h2,12H,3-9H2,1H3,(H,13,14).
What are the key properties of 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide has a molecular weight of 228.29 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 104954989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).