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

C20H20N2O3 — CID 3347136

IUPACN-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-3-6-19(23)21-15-9-10-16(13(2)11-15)22-20(24)18-12-14-7-4-5-8-17(14)25-18/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJMMBWRUMRFVKP-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.73
Rot. Bonds5

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

N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 3347136) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID3347136
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-3-6-19(23)21-15-9-10-16(13(2)11-15)22-20(24)18-12-14-7-4-5-8-17(14)25-18/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJMMBWRUMRFVKP-UHFFFAOYSA-N
XLogP4.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213374
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117640
N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215420
N-[4-[(2,5-diiodobenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21232936

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 3347136) is N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide is CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KJMMBWRUMRFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-6-19(23)21-15-9-10-16(13(2)11-15)22-20(24)18-12-14-7-4-5-8-17(14)25-18/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide?
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3347136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).