About N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide (PubChem CID 3174745) has the molecular formula C27H35N7O5
and a molecular weight of 537.62 g/mol. Its IUPAC name is N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide.
Molecular Properties
| Compound Name | N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide |
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| PubChem CID | 3174745 |
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| Molecular Formula | C27H35N7O5 |
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| Molecular Weight | 537.62 g/mol |
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| Exact Mass | 537.27 |
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| IUPAC Name | N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide |
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| SMILES | COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)C(C(=O)NC3CCCC3)c3ccco3)n2)cc1 |
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| InChI | InChI=1S/C27H35N7O5/c1-37-22-10-8-20(9-11-22)26-29-31-34(30-26)19-24(35)33(13-12-32-14-17-38-18-15-32)25(23-7-4-16-39-23)27(36)28-21-5-2-3-6-21/h4,7-11,16,21,25H,2-3,5-6,12-15,17-19H2,1H3,(H,28,36) |
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| InChIKey | YBNLMMFNTSNWEN-UHFFFAOYSA-N |
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| XLogP | 1.90 |
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| TPSA | 127.85 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 537.62 |
| LogP ≤ 5 | 1.90 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide (CID 3174745) is N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide is COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)C(C(=O)NC3CCCC3)c3ccco3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
The InChIKey is YBNLMMFNTSNWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O5/c1-37-22-10-8-20(9-11-22)26-29-31-34(30-26)19-24(35)33(13-12-32-14-17-38-18-15-32)25(23-7-4-16-39-23)27(36)28-21-5-2-3-6-21/h4,7-11,16,21,25H,2-3,5-6,12-15,17-19H2,1H3,(H,28,36).
What are the key properties of N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide?
N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide has a molecular weight of 537.62 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 3174745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).