3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

C27H26N2O5 — CID 1267238

IUPAC3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1OCC
InChIInChI=1S/C27H26N2O5/c1-3-32-22-15-14-18(16-23(22)33-4-2)17-24(30)29-25-20-12-8-9-13-21(20)34-26(25)27(31)28-19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyXOUVJRDKZVRDGN-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.66
Rot. Bonds9

About 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 1267238) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID1267238
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1OCC
InChIInChI=1S/C27H26N2O5/c1-3-32-22-15-14-18(16-23(22)33-4-2)17-24(30)29-25-20-12-8-9-13-21(20)34-26(25)27(31)28-19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyXOUVJRDKZVRDGN-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

N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 1267238) is 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is CCOc1ccc(CC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1OCC.
What is the InChIKey of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is XOUVJRDKZVRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-3-32-22-15-14-18(16-23(22)33-4-2)17-24(30)29-25-20-12-8-9-13-21(20)34-26(25)27(31)28-19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-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 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1267238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).