propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

C19H25NO5 — CID 741795

IUPACpropan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
InChIInChI=1S/C19H25NO5/c1-6-20(7-2)17(21)11-23-14-8-9-16-15(10-14)18(13(5)25-16)19(22)24-12(3)4/h8-10,12H,6-7,11H2,1-5H3
InChIKeyFSAWNIQWGFRRJA-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.55
Rot. Bonds7

About propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 741795) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID741795
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namepropan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
InChIInChI=1S/C19H25NO5/c1-6-20(7-2)17(21)11-23-14-8-9-16-15(10-14)18(13(5)25-16)19(22)24-12(3)4/h8-10,12H,6-7,11H2,1-5H3
InChIKeyFSAWNIQWGFRRJA-UHFFFAOYSA-N
XLogP3.55
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 854534
propan-2-yl 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
CID 853108
propan-2-yl 5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 830055
propan-2-yl 5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 914239
propan-2-yl 2-methyl-5-(3-methylbut-2-enoxy)-1-benzofuran-3-carboxylate
CID 800834
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 854564
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate (CID 741795) is propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate is CCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is FSAWNIQWGFRRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-6-20(7-2)17(21)11-23-14-8-9-16-15(10-14)18(13(5)25-16)19(22)24-12(3)4/h8-10,12H,6-7,11H2,1-5H3.
What are the key properties of propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate?
propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 741795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).