(2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide

C29H34N6O4 — CID 25306381

About (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide

(2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide (PubChem CID 25306381) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide.

Molecular Properties

• Compound Name: (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide
• PubChem CID: 25306381
• Molecular Formula: C29H34N6O4
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.26
• IUPAC Name: (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc4c3CCCC4)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1
• InChI: InChI=1S/C29H34N6O4/c1-18-13-15-23(38-18)26(28(37)30-29(3,4)5)35(22-12-8-10-20-9-6-7-11-21(20)22)25(36)17-34-32-27(31-33-34)24-16-14-19(2)39-24/h8,10,12-16,26H,6-7,9,11,17H2,1-5H3,(H,30,37)/t26-/m0/s1
• InChIKey: YPQKWTRKXOLKFL-SANMLTNESA-N
• XLogP: 4.71
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide?

The IUPAC name of (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide (CID 25306381) is (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide.

What is the SMILES notation for (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide?

The canonical SMILES for (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc4c3CCCC4)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1.

What is the InChIKey of (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide?

The InChIKey is YPQKWTRKXOLKFL-SANMLTNESA-N. The full InChI is InChI=1S/C29H34N6O4/c1-18-13-15-23(38-18)26(28(37)30-29(3,4)5)35(22-12-8-10-20-9-6-7-11-21(20)22)25(36)17-34-32-27(31-33-34)24-16-14-19(2)39-24/h8,10,12-16,26H,6-7,9,11,17H2,1-5H3,(H,30,37)/t26-/m0/s1.

What are the key properties of (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide?

(2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide has a molecular weight of 530.63 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 25306381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).