propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate

C15H17NO5 — CID 830058

IUPACpropan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C
InChIInChI=1S/C15H17NO5/c1-8(2)20-15(18)14-9(3)21-12-5-4-10(6-11(12)14)19-7-13(16)17/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyRISOMZYXVKYFBK-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.17
Rot. Bonds5

About propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate

propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 830058) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID830058
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namepropan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
SMILESCc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C
InChIInChI=1S/C15H17NO5/c1-8(2)20-15(18)14-9(3)21-12-5-4-10(6-11(12)14)19-7-13(16)17/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyRISOMZYXVKYFBK-UHFFFAOYSA-N
XLogP2.17
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate (CID 830058) is propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is RISOMZYXVKYFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-8(2)20-15(18)14-9(3)21-12-5-4-10(6-11(12)14)19-7-13(16)17/h4-6,8H,7H2,1-3H3,(H2,16,17).
What are the key properties of propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 830058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).