2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

C13H22N2O2 — CID 103557398

IUPAC2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESCOC1(CC(=O)NCC2=CCNCC2)CCC1
InChIInChI=1S/C13H22N2O2/c1-17-13(5-2-6-13)9-12(16)15-10-11-3-7-14-8-4-11/h3,14H,2,4-10H2,1H3,(H,15,16)
InChIKeyRBPFGQIEOLJENK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.98
Rot. Bonds5

About 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (PubChem CID 103557398) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
PubChem CID103557398
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESCOC1(CC(=O)NCC2=CCNCC2)CCC1
InChIInChI=1S/C13H22N2O2/c1-17-13(5-2-6-13)9-12(16)15-10-11-3-7-14-8-4-11/h3,14H,2,4-10H2,1H3,(H,15,16)
InChIKeyRBPFGQIEOLJENK-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.98
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 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (CID 103557398) is 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is COC1(CC(=O)NCC2=CCNCC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The InChIKey is RBPFGQIEOLJENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-17-13(5-2-6-13)9-12(16)15-10-11-3-7-14-8-4-11/h3,14H,2,4-10H2,1H3,(H,15,16).
What are the key properties of 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 103557398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).