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

C27H30N6O4 — CID 3178967

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

N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 3178967) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 3178967
• Molecular Formula: C27H30N6O4
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.23
• IUPAC Name: N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1
• InChI: InChI=1S/C27H30N6O4/c1-18-7-9-20(10-8-18)25-29-31-33(30-25)17-23(35)32(16-22-6-5-15-37-22)24(26(36)28-27(2,3)4)19-11-13-21(34)14-12-19/h5-15,24,34H,16-17H2,1-4H3,(H,28,36)
• InChIKey: FAKVLWMVZBEPOZ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide (CID 3178967) is N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

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

The canonical SMILES for N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1.

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

The InChIKey is FAKVLWMVZBEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-18-7-9-20(10-8-18)25-29-31-33(30-25)17-23(35)32(16-22-6-5-15-37-22)24(26(36)28-27(2,3)4)19-11-13-21(34)14-12-19/h5-15,24,34H,16-17H2,1-4H3,(H,28,36).

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

N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 502.58 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3178967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).