2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone

C17H22N2O3 — CID 167992200

IUPAC2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone
SMILESO=C(CC1Cc2ccccc2O1)N1CC(NC2CCOC2)C1
InChIInChI=1S/C17H22N2O3/c20-17(8-15-7-12-3-1-2-4-16(12)22-15)19-9-14(10-19)18-13-5-6-21-11-13/h1-4,13-15,18H,5-11H2
InChIKeyOJRLIHRWYPXOCR-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.97
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone

2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone (PubChem CID 167992200) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone
PubChem CID167992200
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone
SMILESO=C(CC1Cc2ccccc2O1)N1CC(NC2CCOC2)C1
InChIInChI=1S/C17H22N2O3/c20-17(8-15-7-12-3-1-2-4-16(12)22-15)19-9-14(10-19)18-13-5-6-21-11-13/h1-4,13-15,18H,5-11H2
InChIKeyOJRLIHRWYPXOCR-UHFFFAOYSA-N
XLogP0.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61004474
2-(2,3-dihydro-1-benzofuran-2-yl)-N-(4-fluorophenyl)acetamide
CID 146150593
2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 106471713
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
CID 106469582
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-2-formamidobutanoic acid
CID 66365913
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
CID 7332710
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone (CID 167992200) is 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone is O=C(CC1Cc2ccccc2O1)N1CC(NC2CCOC2)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone?
The InChIKey is OJRLIHRWYPXOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-17(8-15-7-12-3-1-2-4-16(12)22-15)19-9-14(10-19)18-13-5-6-21-11-13/h1-4,13-15,18H,5-11H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone?
2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone has a molecular weight of 302.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone is sourced from PubChem (CID 167992200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).