5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

C25H32N2O3 — CID 42750797

About 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 42750797) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
• PubChem CID: 42750797
• Molecular Formula: C25H32N2O3
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.24
• IUPAC Name: 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
• SMILES: CC(C)N(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)NCc2ccco2)o1
• InChI: InChI=1S/C25H32N2O3/c1-18(2)27(16-19-8-10-20(11-9-19)25(3,4)5)17-22-12-13-23(30-22)24(28)26-15-21-7-6-14-29-21/h6-14,18H,15-17H2,1-5H3,(H,26,28)
• InChIKey: GEBVBHYBZXXWNP-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

The IUPAC name of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 42750797) is 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

The canonical SMILES for 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is CC(C)N(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)NCc2ccco2)o1.

What is the InChIKey of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

The InChIKey is GEBVBHYBZXXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)27(16-19-8-10-20(11-9-19)25(3,4)5)17-22-12-13-23(30-22)24(28)26-15-21-7-6-14-29-21/h6-14,18H,15-17H2,1-5H3,(H,26,28).

What are the key properties of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42750797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).