2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide

C12H18N2O2 — CID 116674875

IUPAC2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-8(10-6-13-7-10)12(15)14-9(2)11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyQRUSKELENWORAV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide

2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide (PubChem CID 116674875) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
PubChem CID116674875
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)C1CNC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-8(10-6-13-7-10)12(15)14-9(2)11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyQRUSKELENWORAV-UHFFFAOYSA-N
XLogP1.31
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
CID 62855564
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
(3R,4R)-4-[1-(furan-2-yl)ethylamino]pyrrolidin-3-ol
CID 131175689

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide (CID 116674875) is 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide is CC(NC(=O)C(C)C1CNC1)c1ccco1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide?
The InChIKey is QRUSKELENWORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(10-6-13-7-10)12(15)14-9(2)11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 116674875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).