2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide

C15H18N2O2 — CID 64618561

IUPAC2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CNC1)c1cc2ccccc2o1
InChIInChI=1S/C15H18N2O2/c1-10(17-15(18)6-11-8-16-9-11)14-7-12-4-2-3-5-13(12)19-14/h2-5,7,10-11,16H,6,8-9H2,1H3,(H,17,18)
InChIKeyNISXNKWPHYNPNA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.22
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide

2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 64618561) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
PubChem CID64618561
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CNC1)c1cc2ccccc2o1
InChIInChI=1S/C15H18N2O2/c1-10(17-15(18)6-11-8-16-9-11)14-7-12-4-2-3-5-13(12)19-14/h2-5,7,10-11,16H,6,8-9H2,1H3,(H,17,18)
InChIKeyNISXNKWPHYNPNA-UHFFFAOYSA-N
XLogP2.22
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 119691713
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8680030
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9369134

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide (CID 64618561) is 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide is CC(NC(=O)CC1CNC1)c1cc2ccccc2o1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is NISXNKWPHYNPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(17-15(18)6-11-8-16-9-11)14-7-12-4-2-3-5-13(12)19-14/h2-5,7,10-11,16H,6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide?
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.22, 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-(1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 64618561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).