N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C15H22N2O4 — CID 102611280

IUPACN-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOCCOc1ccc(NC(=O)COC2(C)CNC2)cc1
InChIInChI=1S/C15H22N2O4/c1-15(10-16-11-15)21-9-14(18)17-12-3-5-13(6-4-12)20-8-7-19-2/h3-6,16H,7-11H2,1-2H3,(H,17,18)
InChIKeyZWYITJGDBRUKSO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.03
Rot. Bonds8

About N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611280) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611280
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOCCOc1ccc(NC(=O)COC2(C)CNC2)cc1
InChIInChI=1S/C15H22N2O4/c1-15(10-16-11-15)21-9-14(18)17-12-3-5-13(6-4-12)20-8-7-19-2/h3-6,16H,7-11H2,1-2H3,(H,17,18)
InChIKeyZWYITJGDBRUKSO-UHFFFAOYSA-N
XLogP1.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611280) is N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide is COCCOc1ccc(NC(=O)COC2(C)CNC2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is ZWYITJGDBRUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(10-16-11-15)21-9-14(18)17-12-3-5-13(6-4-12)20-8-7-19-2/h3-6,16H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 294.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).