N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide

C25H28N6O4 — CID 3179083

About N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide

N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 3179083) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• PubChem CID: 3179083
• Molecular Formula: C25H28N6O4
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.22
• IUPAC Name: N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC(C)(C)C)c3ccco3)n2)cc1
• InChI: InChI=1S/C25H28N6O4/c1-17-9-11-18(12-10-17)23-27-29-31(28-23)16-21(32)30(15-19-7-5-13-34-19)22(20-8-6-14-35-20)24(33)26-25(2,3)4/h5-14,22H,15-16H2,1-4H3,(H,26,33)
• InChIKey: LDHVSKTYZRQNOT-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

The IUPAC name of N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide (CID 3179083) is N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

What is the SMILES notation for N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

The canonical SMILES for N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC(C)(C)C)c3ccco3)n2)cc1.

What is the InChIKey of N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

The InChIKey is LDHVSKTYZRQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-17-9-11-18(12-10-17)23-27-29-31(28-23)16-21(32)30(15-19-7-5-13-34-19)22(20-8-6-14-35-20)24(33)26-25(2,3)4/h5-14,22H,15-16H2,1-4H3,(H,26,33).

What are the key properties of N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 476.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 3179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).