2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide

C13H22N2O2 — CID 56702974

IUPAC2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC1=CCCN(C)C1)C(=O)COC
InChIInChI=1S/C13H22N2O2/c1-4-7-15(13(16)11-17-3)10-12-6-5-8-14(2)9-12/h4,6H,1,5,7-11H2,2-3H3
InChIKeyGQJMDTAOXCMWQX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds6

About 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide

2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide (PubChem CID 56702974) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide
PubChem CID56702974
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC1=CCCN(C)C1)C(=O)COC
InChIInChI=1S/C13H22N2O2/c1-4-7-15(13(16)11-17-3)10-12-6-5-8-14(2)9-12/h4,6H,1,5,7-11H2,2-3H3
InChIKeyGQJMDTAOXCMWQX-UHFFFAOYSA-N
XLogP0.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide (CID 56702974) is 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide is C=CCN(CC1=CCCN(C)C1)C(=O)COC.
What is the InChIKey of 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide?
The InChIKey is GQJMDTAOXCMWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-7-15(13(16)11-17-3)10-12-6-5-8-14(2)9-12/h4,6H,1,5,7-11H2,2-3H3.
What are the key properties of 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide?
2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide has a molecular weight of 238.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 56702974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).