N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C23H24N2O5 — CID 19456660

About N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19456660) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19456660
• Molecular Formula: C23H24N2O5
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.17
• IUPAC Name: N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1
• InChI: InChI=1S/C23H24N2O5/c1-14(2)19-8-5-15(3)11-22(19)29-13-18-7-10-21(30-18)23(26)24-20-9-6-17(25(27)28)12-16(20)4/h5-12,14H,13H2,1-4H3,(H,24,26)
• InChIKey: MYRVOERFJWNDDF-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 94.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19456660) is N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1.

What is the InChIKey of N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is MYRVOERFJWNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14(2)19-8-5-15(3)11-22(19)29-13-18-7-10-21(30-18)23(26)24-20-9-6-17(25(27)28)12-16(20)4/h5-12,14H,13H2,1-4H3,(H,24,26).

What are the key properties of N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).