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

C11H20N2O2 — CID 104954971

IUPAC2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESCCCOCC(=O)NCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-2-7-15-9-11(14)13-8-10-3-5-12-6-4-10/h3,12H,2,4-9H2,1H3,(H,13,14)
InChIKeyYMGBFWHERWUOHN-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

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

2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (PubChem CID 104954971) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
PubChem CID104954971
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESCCCOCC(=O)NCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-2-7-15-9-11(14)13-8-10-3-5-12-6-4-10/h3,12H,2,4-9H2,1H3,(H,13,14)
InChIKeyYMGBFWHERWUOHN-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
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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Related Compounds

N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
CID 134817736
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
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 59091848
3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 71286421
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 89700578
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
4-[(2E,5Z)-2-ethyl-6-(methylamino)hepta-2,5-dienyl]morpholin-3-one
CID 134406135
N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide
CID 138502815

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (CID 104954971) is 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is CCCOCC(=O)NCC1=CCNCC1.
What is the InChIKey of 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The InChIKey is YMGBFWHERWUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-7-15-9-11(14)13-8-10-3-5-12-6-4-10/h3,12H,2,4-9H2,1H3,(H,13,14).
What are the key properties of 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 104954971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).