2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

C12H22N2O2 — CID 107487203

IUPAC2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESCC(C)OCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O2/c1-10(2)16-9-12(15)14-8-5-11-3-6-13-7-4-11/h3,10,13H,4-9H2,1-2H3,(H,14,15)
InChIKeyCOEBWGJBYBQJNN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds6

About 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (PubChem CID 107487203) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
PubChem CID107487203
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESCC(C)OCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O2/c1-10(2)16-9-12(15)14-8-5-11-3-6-13-7-4-11/h3,10,13H,4-9H2,1-2H3,(H,14,15)
InChIKeyCOEBWGJBYBQJNN-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489787
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120415986
[(2S)-1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-oxopropan-2-yl] acetate
CID 44757663
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
N-geranyl 2-acetoxypropionamide
CID 86661264
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
CID 167152693
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 48130901
N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide
CID 48874261
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,3,6-tetrahydropyridin-4-yl)methyl]acetamide
CID 50972729

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (CID 107487203) is 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is CC(C)OCC(=O)NCCC1=CCNCC1.
What is the InChIKey of 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The InChIKey is COEBWGJBYBQJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)16-9-12(15)14-8-5-11-3-6-13-7-4-11/h3,10,13H,4-9H2,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is sourced from PubChem (CID 107487203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).