N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C12H18N2O3 — CID 102656423

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COC1(C)CNC1)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-9(10-4-3-5-16-10)14-11(15)6-17-12(2)7-13-8-12/h3-5,9,13H,6-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyAAMPYAHBLMSGOV-SECBINFHSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds5

About N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656423) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656423
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COC1(C)CNC1)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-9(10-4-3-5-16-10)14-11(15)6-17-12(2)7-13-8-12/h3-5,9,13H,6-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyAAMPYAHBLMSGOV-SECBINFHSA-N
XLogP0.84
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656423) is N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide is C[C@@H](NC(=O)COC1(C)CNC1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is AAMPYAHBLMSGOV-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(10-4-3-5-16-10)14-11(15)6-17-12(2)7-13-8-12/h3-5,9,13H,6-8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).