N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide

C21H22N2O4 — CID 2444004

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O4/c1-3-12-23(14-20(24)22-16-9-5-7-11-18(16)26-2)21(25)19-13-15-8-4-6-10-17(15)27-19/h4-11,13H,3,12,14H2,1-2H3,(H,22,24)
InChIKeyXOSUYMQAKKZYLD-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.93
Rot. Bonds7

About N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 2444004) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
PubChem CID2444004
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O4/c1-3-12-23(14-20(24)22-16-9-5-7-11-18(16)26-2)21(25)19-13-15-8-4-6-10-17(15)27-19/h4-11,13H,3,12,14H2,1-2H3,(H,22,24)
InChIKeyXOSUYMQAKKZYLD-UHFFFAOYSA-N
XLogP3.93
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide (CID 2444004) is N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is XOSUYMQAKKZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-12-23(14-20(24)22-16-9-5-7-11-18(16)26-2)21(25)19-13-15-8-4-6-10-17(15)27-19/h4-11,13H,3,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2444004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).