N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C27H30N6O4 — CID 3178977

About N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 3178977) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 3178977
• Molecular Formula: C27H30N6O4
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.23
• IUPAC Name: N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2ccc(O)cc2)cc1
• InChI: InChI=1S/C27H30N6O4/c1-17-6-11-20(12-7-17)33(23(35)16-32-30-25(29-31-32)22-15-8-18(2)37-22)24(26(36)28-27(3,4)5)19-9-13-21(34)14-10-19/h6-15,24,34H,16H2,1-5H3,(H,28,36)
• InChIKey: JPWLEXHNIYNIMB-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 3178977) is N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

What is the SMILES notation for N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The canonical SMILES for N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2ccc(O)cc2)cc1.

What is the InChIKey of N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The InChIKey is JPWLEXHNIYNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-17-6-11-20(12-7-17)33(23(35)16-32-30-25(29-31-32)22-15-8-18(2)37-22)24(26(36)28-27(3,4)5)19-9-13-21(34)14-10-19/h6-15,24,34H,16H2,1-5H3,(H,28,36).

What are the key properties of N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 502.58 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 3178977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).