4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide

C12H22N2O2 — CID 107487317

IUPAC4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESCOCCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O2/c1-16-10-2-3-12(15)14-9-6-11-4-7-13-8-5-11/h4,13H,2-3,5-10H2,1H3,(H,14,15)
InChIKeyUCZCZZPKGUIYHK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds7

About 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide

4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (PubChem CID 107487317) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
PubChem CID107487317
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESCOCCCC(=O)NCCC1=CCNCC1
InChIInChI=1S/C12H22N2O2/c1-16-10-2-3-12(15)14-9-6-11-4-7-13-8-5-11/h4,13H,2-3,5-10H2,1H3,(H,14,15)
InChIKeyUCZCZZPKGUIYHK-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N1-acetyl-N7-4''-methyl-3''-pentenoyl cadaverine
CID 139591679
N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide
CID 178011647
N-butyl-2-(3,6-dihydro-2H-pyran-5-yl)acetamide
CID 10954508
4-methoxy-N-[(E)-pent-3-enyl]pentanamide
CID 104096983
2-amino-4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 106314039
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107486618
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide
CID 107486669
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
CID 107486739
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486753
3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486796
2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486866

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The IUPAC name of 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (CID 107487317) is 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The canonical SMILES for 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is COCCCC(=O)NCCC1=CCNCC1.
What is the InChIKey of 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The InChIKey is UCZCZZPKGUIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-10-2-3-12(15)14-9-6-11-4-7-13-8-5-11/h4,13H,2-3,5-10H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is sourced from PubChem (CID 107487317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).