N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide

C15H26N2O2 — CID 95205315

IUPACN-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
SMILESC/C=C/CN1CC=C([C@@H](CC)NC(=O)COC)CC1
InChIInChI=1S/C15H26N2O2/c1-4-6-9-17-10-7-13(8-11-17)14(5-2)16-15(18)12-19-3/h4,6-7,14H,5,8-12H2,1-3H3,(H,16,18)/b6-4+/t14-/m1/s1
InChIKeyDZQZXSOYODXIKT-YVARQFDVSA-N
MW266.38 g/mol
LogP1.74
Rot. Bonds7

About N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide

N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide (PubChem CID 95205315) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
PubChem CID95205315
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
SMILESC/C=C/CN1CC=C([C@@H](CC)NC(=O)COC)CC1
InChIInChI=1S/C15H26N2O2/c1-4-6-9-17-10-7-13(8-11-17)14(5-2)16-15(18)12-19-3/h4,6-7,14H,5,8-12H2,1-3H3,(H,16,18)/b6-4+/t14-/m1/s1
InChIKeyDZQZXSOYODXIKT-YVARQFDVSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.74
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-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide (CID 95205315) is N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide is C/C=C/CN1CC=C([C@@H](CC)NC(=O)COC)CC1.
What is the InChIKey of N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide?
The InChIKey is DZQZXSOYODXIKT-YVARQFDVSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-6-9-17-10-7-13(8-11-17)14(5-2)16-15(18)12-19-3/h4,6-7,14H,5,8-12H2,1-3H3,(H,16,18)/b6-4+/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide?
N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide has a molecular weight of 266.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide is sourced from PubChem (CID 95205315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).