N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide

C26H24N2O5 — CID 16814944

IUPACN-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-31-18-13-14-20(22(16-18)32-2)27-26(30)25-24(19-10-6-7-11-21(19)33-25)28-23(29)15-12-17-8-4-3-5-9-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyWXCUKVWHVPOICS-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.27
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide

N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 16814944) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
PubChem CID16814944
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-31-18-13-14-20(22(16-18)32-2)27-26(30)25-24(19-10-6-7-11-21(19)33-25)28-23(29)15-12-17-8-4-3-5-9-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyWXCUKVWHVPOICS-UHFFFAOYSA-N
XLogP5.27
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
CID 52943074
3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818067
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16818279
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818010
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide (CID 16814944) is N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is WXCUKVWHVPOICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-31-18-13-14-20(22(16-18)32-2)27-26(30)25-24(19-10-6-7-11-21(19)33-25)28-23(29)15-12-17-8-4-3-5-9-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).