N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

C31H32N2O2 — CID 21047779

About N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047779) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 21047779
• Molecular Formula: C31H32N2O2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.25
• IUPAC Name: N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
• SMILES: Cc1cc(C)c(Cc2ccc(C(=O)Nc3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)o2)c(C)c1
• InChI: InChI=1S/C31H32N2O2/c1-21-18-22(2)29(23(3)19-21)20-28-16-17-30(35-28)31(34)32-26-12-8-24(9-13-26)6-7-25-10-14-27(15-11-25)33(4)5/h6-19H,20H2,1-5H3,(H,32,34)/b7-6+
• InChIKey: UJFBBMQXPUVFTO-VOTSOKGWSA-N
• XLogP: 7.28
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21047779) is N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is Cc1cc(C)c(Cc2ccc(C(=O)Nc3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)o2)c(C)c1.

What is the InChIKey of N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

The InChIKey is UJFBBMQXPUVFTO-VOTSOKGWSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-21-18-22(2)29(23(3)19-21)20-28-16-17-30(35-28)31(34)32-26-12-8-24(9-13-26)6-7-25-10-14-27(15-11-25)33(4)5/h6-19H,20H2,1-5H3,(H,32,34)/b7-6+.

What are the key properties of N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?

N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 7.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).