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

C13H24N2O2 — CID 107486714

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESCC(C)(C)OCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-10-12(16)15-9-6-11-4-7-14-8-5-11/h4,14H,5-10H2,1-3H3,(H,15,16)
InChIKeyMJWKQWJNVAUIPL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.23
Rot. Bonds5

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

2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (PubChem CID 107486714) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
PubChem CID107486714
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESCC(C)(C)OCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-10-12(16)15-9-6-11-4-7-14-8-5-11/h4,14H,5-10H2,1-3H3,(H,15,16)
InChIKeyMJWKQWJNVAUIPL-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.23
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-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 164631132
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
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-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
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,3,6-tetrahydropyridin-4-yl)methyl]acetamide
CID 50972729
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide
CID 60655754
N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide
CID 60655755
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide
CID 71815916

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (CID 107486714) is 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is CC(C)(C)OCC(=O)NCCC1=CCNCC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The InChIKey is MJWKQWJNVAUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-10-12(16)15-9-6-11-4-7-14-8-5-11/h4,14H,5-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is sourced from PubChem (CID 107486714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).