(2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

C27H34N6O5 — CID 1144364

About (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

(2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (PubChem CID 1144364) has the molecular formula C27H34N6O5 and a molecular weight of 522.61 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
• PubChem CID: 1144364
• Molecular Formula: C27H34N6O5
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.26
• IUPAC Name: (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1
• InChI: InChI=1S/C27H34N6O5/c1-36-21-13-11-19(12-14-21)26-29-31-33(30-26)18-24(34)32(17-22-9-5-15-37-22)25(23-10-6-16-38-23)27(35)28-20-7-3-2-4-8-20/h6,10-14,16,20,22,25H,2-5,7-9,15,17-18H2,1H3,(H,28,35)/t22-,25+/m0/s1
• InChIKey: BTTKDKHOVSKEIR-WIOPSUGQSA-N
• XLogP: 3.14
• TPSA: 124.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

The IUPAC name of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (CID 1144364) is (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1.

What is the InChIKey of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

The InChIKey is BTTKDKHOVSKEIR-WIOPSUGQSA-N. The full InChI is InChI=1S/C27H34N6O5/c1-36-21-13-11-19(12-14-21)26-29-31-33(30-26)18-24(34)32(17-22-9-5-15-37-22)25(23-10-6-16-38-23)27(35)28-20-7-3-2-4-8-20/h6,10-14,16,20,22,25H,2-5,7-9,15,17-18H2,1H3,(H,28,35)/t22-,25+/m0/s1.

What are the key properties of (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

(2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide has a molecular weight of 522.61 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 1144364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).