N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

C20H20N2O4 — CID 1132518

IUPACN-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-3-6-19(23)21-14-9-10-15(17(12-14)25-2)22-20(24)18-11-13-7-4-5-8-16(13)26-18/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAESKMDBDTUSFJT-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.43
Rot. Bonds6

About N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 1132518) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID1132518
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-3-6-19(23)21-14-9-10-15(17(12-14)25-2)22-20(24)18-11-13-7-4-5-8-16(13)26-18/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAESKMDBDTUSFJT-UHFFFAOYSA-N
XLogP4.43
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 1132518) is N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide is CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1.
What is the InChIKey of N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is AESKMDBDTUSFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-6-19(23)21-14-9-10-15(17(12-14)25-2)22-20(24)18-11-13-7-4-5-8-16(13)26-18/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1132518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).