N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide

C24H27N3O5 — CID 25102440

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1
InChIInChI=1S/C24H27N3O5/c1-5-27(14-22(29)26-18-9-7-17(8-10-18)25-16(4)28)24(30)23-15(3)20-13-19(31-6-2)11-12-21(20)32-23/h7-13H,5-6,14H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyKCMQBJJENRQXPJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.20
Rot. Bonds8

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 25102440) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID25102440
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1
InChIInChI=1S/C24H27N3O5/c1-5-27(14-22(29)26-18-9-7-17(8-10-18)25-16(4)28)24(30)23-15(3)20-13-19(31-6-2)11-12-21(20)32-23/h7-13H,5-6,14H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyKCMQBJJENRQXPJ-UHFFFAOYSA-N
XLogP4.20
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 25102440) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KCMQBJJENRQXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-27(14-22(29)26-18-9-7-17(8-10-18)25-16(4)28)24(30)23-15(3)20-13-19(31-6-2)11-12-21(20)32-23/h7-13H,5-6,14H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25102440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).