ethyl 5-acetamido-1-benzofuran-2-carboxylate

C13H13NO4 — CID 155578691

IUPACethyl 5-acetamido-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(C)=O)ccc2o1
InChIInChI=1S/C13H13NO4/c1-3-17-13(16)12-7-9-6-10(14-8(2)15)4-5-11(9)18-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyKMAWQZDOVWBXNH-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.57
Rot. Bonds3

About ethyl 5-acetamido-1-benzofuran-2-carboxylate

ethyl 5-acetamido-1-benzofuran-2-carboxylate (PubChem CID 155578691) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 5-acetamido-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-1-benzofuran-2-carboxylate
PubChem CID155578691
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 5-acetamido-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(C)=O)ccc2o1
InChIInChI=1S/C13H13NO4/c1-3-17-13(16)12-7-9-6-10(14-8(2)15)4-5-11(9)18-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyKMAWQZDOVWBXNH-UHFFFAOYSA-N
XLogP2.57
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 10575476
ethyl 5-(diethoxyphosphorylmethyl)-1-benzofuran-2-carboxylate
CID 58572810
ethyl 5-[[(2S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylate
CID 130409953
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
ethyl 5-carbamimidoyl-1-benzofuran-2-carboxylate;hydrochloride
CID 18919516
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 4-acetamido-2-aminobenzoate
CID 19006952
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
ethyl 5-hydroxy-1-benzofuran-2-carboxylate;ethyl 5-methyl-1-benzofuran-2-carboxylate;methane;tribromoborane
CID 158156070
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076318
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-acetamido-1-benzofuran-2-carboxylate (CID 155578691) is ethyl 5-acetamido-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-acetamido-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(NC(C)=O)ccc2o1.
What is the InChIKey of ethyl 5-acetamido-1-benzofuran-2-carboxylate?
The InChIKey is KMAWQZDOVWBXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-17-13(16)12-7-9-6-10(14-8(2)15)4-5-11(9)18-12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-acetamido-1-benzofuran-2-carboxylate?
ethyl 5-acetamido-1-benzofuran-2-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-1-benzofuran-2-carboxylate is sourced from PubChem (CID 155578691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).