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

C26H35N7O4 — CID 25310865

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

(2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide (PubChem CID 25310865) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide.

Molecular Properties

• Compound Name: (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
• PubChem CID: 25310865
• Molecular Formula: C26H35N7O4
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.28
• IUPAC Name: (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1
• InChI: InChI=1S/C26H35N7O4/c1-19-7-9-20(10-8-19)24-28-30-33(29-24)18-22(34)32(12-11-31-13-16-36-17-14-31)23(21-6-5-15-37-21)25(35)27-26(2,3)4/h5-10,15,23H,11-14,16-18H2,1-4H3,(H,27,35)/t23-/m0/s1
• InChIKey: MMSZXSAWGZXGBU-QHCPKHFHSA-N
• XLogP: 2.06
• TPSA: 118.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide (CID 25310865) is (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide.

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

The canonical SMILES for (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1.

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

The InChIKey is MMSZXSAWGZXGBU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-19-7-9-20(10-8-19)24-28-30-33(29-24)18-22(34)32(12-11-31-13-16-36-17-14-31)23(21-6-5-15-37-21)25(35)27-26(2,3)4/h5-10,15,23H,11-14,16-18H2,1-4H3,(H,27,35)/t23-/m0/s1.

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

(2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide has a molecular weight of 509.61 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 25310865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).