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

C13H24N2O2 — CID 107487081

IUPAC3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESCOC(C)(C)CC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,17-3)10-12(16)15-9-6-11-4-7-14-8-5-11/h4,14H,5-10H2,1-3H3,(H,15,16)
InChIKeyCGPGZJMRXFVNTB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.23
Rot. Bonds6

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

3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (PubChem CID 107487081) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
PubChem CID107487081
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESCOC(C)(C)CC(=O)NCCC1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,17-3)10-12(16)15-9-6-11-4-7-14-8-5-11/h4,14H,5-10H2,1-3H3,(H,15,16)
InChIKeyCGPGZJMRXFVNTB-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
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 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (CID 107487081) is 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is COC(C)(C)CC(=O)NCCC1=CCNCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The InChIKey is CGPGZJMRXFVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,17-3)10-12(16)15-9-6-11-4-7-14-8-5-11/h4,14H,5-10H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide has a molecular weight of 240.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is sourced from PubChem (CID 107487081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).