N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide

C29H28N2O3 — CID 92987128

About N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide

N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide (PubChem CID 92987128) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
• PubChem CID: 92987128
• Molecular Formula: C29H28N2O3
• Molecular Weight: 452.55 g/mol
• Exact Mass: 452.21
• IUPAC Name: N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
• SMILES: Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C29H28N2O3/c1-21-10-12-24(13-11-21)20-31(29(33)27-9-6-18-34-27)26-16-14-23(15-17-26)19-28(32)30-22(2)25-7-4-3-5-8-25/h3-18,22H,19-20H2,1-2H3,(H,30,32)/t22-/m1/s1
• InChIKey: MVHLKUWUCSCGME-JOCHJYFZSA-N
• XLogP: 5.85
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.55
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide (CID 92987128) is N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide is Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)cc1.

What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide?

The InChIKey is MVHLKUWUCSCGME-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-21-10-12-24(13-11-21)20-31(29(33)27-9-6-18-34-27)26-16-14-23(15-17-26)19-28(32)30-22(2)25-7-4-3-5-8-25/h3-18,22H,19-20H2,1-2H3,(H,30,32)/t22-/m1/s1.

What are the key properties of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide?

N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 92987128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).