5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide

C26H32N2O3 — CID 7417815

About 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide

5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide (PubChem CID 7417815) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
• PubChem CID: 7417815
• Molecular Formula: C26H32N2O3
• Molecular Weight: 420.55 g/mol
• Exact Mass: 420.24
• IUPAC Name: 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
• SMILES: COc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N[C@@H](C)C(C)C)o2)cc1
• InChI: InChI=1S/C26H32N2O3/c1-19(2)20(3)27-26(29)25-15-14-24(31-25)18-28(16-21-8-6-5-7-9-21)17-22-10-12-23(30-4)13-11-22/h5-15,19-20H,16-18H2,1-4H3,(H,27,29)/t20-/m0/s1
• InChIKey: XEXLJFOOGOFUSI-FQEVSTJZSA-N
• XLogP: 5.26
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.55
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?

The IUPAC name of 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide (CID 7417815) is 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide is COc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N[C@@H](C)C(C)C)o2)cc1.

What is the InChIKey of 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?

The InChIKey is XEXLJFOOGOFUSI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-19(2)20(3)27-26(29)25-15-14-24(31-25)18-28(16-21-8-6-5-7-9-21)17-22-10-12-23(30-4)13-11-22/h5-15,19-20H,16-18H2,1-4H3,(H,27,29)/t20-/m0/s1.

What are the key properties of 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?

5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7417815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).