N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C28H28N2O6 — CID 55341391

IUPACN-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1cc(NC(=O)c2oc3ccc(OC)cc3c2C)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H28N2O6/c1-5-34-24-16-22(25(35-6-2)15-21(24)29-27(31)18-10-8-7-9-11-18)30-28(32)26-17(3)20-14-19(33-4)12-13-23(20)36-26/h7-16H,5-6H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyDLQFTKZLQFLTQE-UHFFFAOYSA-N
MW488.54 g/mol
LogP6.05
Rot. Bonds9

About N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55341391) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55341391
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1cc(NC(=O)c2oc3ccc(OC)cc3c2C)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H28N2O6/c1-5-34-24-16-22(25(35-6-2)15-21(24)29-27(31)18-10-8-7-9-11-18)30-28(32)26-17(3)20-14-19(33-4)12-13-23(20)36-26/h7-16H,5-6H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyDLQFTKZLQFLTQE-UHFFFAOYSA-N
XLogP6.05
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-[2-(difluoromethoxy)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2667604
N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 4025593
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 55341391) is N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1cc(NC(=O)c2oc3ccc(OC)cc3c2C)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DLQFTKZLQFLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-5-34-24-16-22(25(35-6-2)15-21(24)29-27(31)18-10-8-7-9-11-18)30-28(32)26-17(3)20-14-19(33-4)12-13-23(20)36-26/h7-16H,5-6H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55341391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).