N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

C28H28N2O3 — CID 21047863

About N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047863) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 21047863
• Molecular Formula: C28H28N2O3
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.21
• IUPAC Name: N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
• SMILES: COc1cc(Nc2ccccc2)ccc1NC(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1
• InChI: InChI=1S/C28H28N2O3/c1-18-14-19(2)24(20(3)15-18)17-23-11-13-26(33-23)28(31)30-25-12-10-22(16-27(25)32-4)29-21-8-6-5-7-9-21/h5-16,29H,17H2,1-4H3,(H,30,31)
• InChIKey: NXDCYQOSIAIDNX-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 63.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21047863) is N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is COc1cc(Nc2ccccc2)ccc1NC(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1.

What is the InChIKey of N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

The InChIKey is NXDCYQOSIAIDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-18-14-19(2)24(20(3)15-18)17-23-11-13-26(33-23)28(31)30-25-12-10-22(16-27(25)32-4)29-21-8-6-5-7-9-21/h5-16,29H,17H2,1-4H3,(H,30,31).

What are the key properties of N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).