N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

C26H24N2O4 — CID 21213342

IUPACN-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1
InChIInChI=1S/C26H24N2O4/c1-3-13-31-21-9-6-8-19(15-21)25(29)27-20-11-12-22(17(2)14-20)28-26(30)24-16-18-7-4-5-10-23(18)32-24/h4-12,14-16H,3,13H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyGPVJLEQGXCDFPM-UHFFFAOYSA-N
MW428.49 g/mol
LogP6.03
Rot. Bonds7

About N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 21213342) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID21213342
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1
InChIInChI=1S/C26H24N2O4/c1-3-13-31-21-9-6-8-19(15-21)25(29)27-20-11-12-22(17(2)14-20)28-26(30)24-16-18-7-4-5-10-23(18)32-24/h4-12,14-16H,3,13H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyGPVJLEQGXCDFPM-UHFFFAOYSA-N
XLogP6.03
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
N-[2-methyl-4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17112248
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[[3-[(2R)-butan-2-yl]oxybenzoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 39366161
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 21213342) is N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1.
What is the InChIKey of N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GPVJLEQGXCDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-13-31-21-9-6-8-19(15-21)25(29)27-20-11-12-22(17(2)14-20)28-26(30)24-16-18-7-4-5-10-23(18)32-24/h4-12,14-16H,3,13H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 21213342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).