2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

C21H19NO5 — CID 9391956

IUPAC2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C21H19NO5/c23-19(12-17-14-5-1-2-6-15(14)20(24)25-17)22-13-7-8-16-18(11-13)27-21(26-16)9-3-4-10-21/h1-2,5-8,11,17H,3-4,9-10,12H2,(H,22,23)/t17-/m1/s1
InChIKeyPMIMDJXOVFOFII-QGZVFWFLSA-N
MW365.39 g/mol
LogP3.97
Rot. Bonds3

About 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (PubChem CID 9391956) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.

Molecular Properties

Compound Name2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
PubChem CID9391956
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C21H19NO5/c23-19(12-17-14-5-1-2-6-15(14)20(24)25-17)22-13-7-8-16-18(11-13)27-21(26-16)9-3-4-10-21/h1-2,5-8,11,17H,3-4,9-10,12H2,(H,22,23)/t17-/m1/s1
InChIKeyPMIMDJXOVFOFII-QGZVFWFLSA-N
XLogP3.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 134012716
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26735813
1-[[[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 166225036
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 97016881
N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94002797
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38854413
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The IUPAC name of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (CID 9391956) is 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.
What is the SMILES notation for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The canonical SMILES for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The InChIKey is PMIMDJXOVFOFII-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19NO5/c23-19(12-17-14-5-1-2-6-15(14)20(24)25-17)22-13-7-8-16-18(11-13)27-21(26-16)9-3-4-10-21/h1-2,5-8,11,17H,3-4,9-10,12H2,(H,22,23)/t17-/m1/s1.
What are the key properties of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide has a molecular weight of 365.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is sourced from PubChem (CID 9391956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).