(2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C19H17NO5 — CID 7186945

IUPAC(2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3)c(C)c2c1
InChIInChI=1S/C19H17NO5/c1-12-15-10-14(23-2)8-9-16(15)25-18(12)19(22)24-11-17(21)20-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyYEVHVHCXCWZYHC-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.55
Rot. Bonds5

About (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

(2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7186945) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7186945
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3)c(C)c2c1
InChIInChI=1S/C19H17NO5/c1-12-15-10-14(23-2)8-9-16(15)25-18(12)19(22)24-11-17(21)20-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyYEVHVHCXCWZYHC-UHFFFAOYSA-N
XLogP3.55
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 725663
CID 725663
CID 725660
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CID 678887
CID 678887
CID 725661
CID 725661
CID 1567373
CID 1567373
CID 52951983
CID 52951983
CID 682562
CID 682562
CID 684790
CID 684790
CID 777081
CID 777081
CID 2474196
CID 2474196
CID 2556986
CID 2556986
CID 7117021
CID 7117021

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7186945) is (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3)c(C)c2c1.
What is the InChIKey of (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is YEVHVHCXCWZYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12-15-10-14(23-2)8-9-16(15)25-18(12)19(22)24-11-17(21)20-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
(2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7186945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).