N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

C27H26N2O5 — CID 20875357

IUPACN-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccc(OCC)cc3)oc3ccccc23)cc1
InChIInChI=1S/C27H26N2O5/c1-3-32-20-13-9-18(10-14-20)17-24(30)29-25-22-7-5-6-8-23(22)34-26(25)27(31)28-19-11-15-21(16-12-19)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyIDQOVERORUEGDD-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.66
Rot. Bonds9

About N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 20875357) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID20875357
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC NameN-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccc(OCC)cc3)oc3ccccc23)cc1
InChIInChI=1S/C27H26N2O5/c1-3-32-20-13-9-18(10-14-20)17-24(30)29-25-22-7-5-6-8-23(22)34-26(25)27(31)28-19-11-15-21(16-12-19)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyIDQOVERORUEGDD-UHFFFAOYSA-N
XLogP5.66
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(4-ethoxyphenyl)-3-[(3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814634
N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20925833
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 20875357) is N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is CCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccc(OCC)cc3)oc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is IDQOVERORUEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-3-32-20-13-9-18(10-14-20)17-24(30)29-25-22-7-5-6-8-23(22)34-26(25)27(31)28-19-11-15-21(16-12-19)33-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).