N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide

C16H22N2O2 — CID 50950025

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
SMILESCN1CC=C(CNC(=O)COCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-18-9-7-14(8-10-18)11-17-16(19)13-20-12-15-5-3-2-4-6-15/h2-7H,8-13H2,1H3,(H,17,19)
InChIKeyZWQCOEYPTGYYKK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.58
Rot. Bonds6

About N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide (PubChem CID 50950025) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
PubChem CID50950025
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
SMILESCN1CC=C(CNC(=O)COCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-18-9-7-14(8-10-18)11-17-16(19)13-20-12-15-5-3-2-4-6-15/h2-7H,8-13H2,1H3,(H,17,19)
InChIKeyZWQCOEYPTGYYKK-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide (CID 50950025) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide is CN1CC=C(CNC(=O)COCc2ccccc2)CC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is ZWQCOEYPTGYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-9-7-14(8-10-18)11-17-16(19)13-20-12-15-5-3-2-4-6-15/h2-7H,8-13H2,1H3,(H,17,19).
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 50950025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).