2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

C11H20N2O2 — CID 103021679

IUPAC2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESCOC(C)(C)C(=O)NCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-11(2,15-3)10(14)13-8-9-4-6-12-7-5-9/h4,12H,5-8H2,1-3H3,(H,13,14)
InChIKeyNBADGQWHEIVICX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds4

About 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (PubChem CID 103021679) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
PubChem CID103021679
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESCOC(C)(C)C(=O)NCC1=CCNCC1
InChIInChI=1S/C11H20N2O2/c1-11(2,15-3)10(14)13-8-9-4-6-12-7-5-9/h4,12H,5-8H2,1-3H3,(H,13,14)
InChIKeyNBADGQWHEIVICX-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 164631132
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-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide
CID 123247018
N-ethyl-2-methylidenebutanamide;N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 142934117
2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide
CID 146338624
2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
CID 167152693
N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide
CID 178010089
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50959580
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,3,6-tetrahydropyridin-4-yl)methyl]acetamide
CID 50972729
N-(cyclohexen-1-ylmethyl)-2-methoxyacetamide
CID 100542229
2-(3-methylazetidin-3-yl)oxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 102656645

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (CID 103021679) is 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is COC(C)(C)C(=O)NCC1=CCNCC1.
What is the InChIKey of 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The InChIKey is NBADGQWHEIVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,15-3)10(14)13-8-9-4-6-12-7-5-9/h4,12H,5-8H2,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 103021679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).