About 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide
7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide (PubChem CID 58967886) has the molecular formula C34H37N3O4
and a molecular weight of 551.69 g/mol. Its IUPAC name is 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide.
Molecular Properties
| Compound Name | 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide |
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| PubChem CID | 58967886 |
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| Molecular Formula | C34H37N3O4 |
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| Molecular Weight | 551.69 g/mol |
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| Exact Mass | 551.28 |
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| IUPAC Name | 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide |
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| SMILES | COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12 |
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| InChI | InChI=1S/C34H37N3O4/c1-24-8-5-9-25(20-24)22-35-33(39)28-23-37(32-26(28)11-6-13-31(32)40-2)17-7-16-36-18-14-34(15-19-36)21-29(38)27-10-3-4-12-30(27)41-34/h3-6,8-13,20,23H,7,14-19,21-22H2,1-2H3,(H,35,39) |
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| InChIKey | ZDOVTMLIVFAKNJ-UHFFFAOYSA-N |
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| XLogP | 5.78 |
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| TPSA | 72.80 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 551.69 |
| LogP ≤ 5 | 5.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide (CID 58967886) is 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.
What is the InChIKey of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide?
The InChIKey is ZDOVTMLIVFAKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O4/c1-24-8-5-9-25(20-24)22-35-33(39)28-23-37(32-26(28)11-6-13-31(32)40-2)17-7-16-36-18-14-34(15-19-36)21-29(38)27-10-3-4-12-30(27)41-34/h3-6,8-13,20,23H,7,14-19,21-22H2,1-2H3,(H,35,39).
What are the key properties of 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide?
7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide has a molecular weight of 551.69 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propyl]indole-3-carboxamide is sourced from PubChem (CID 58967886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).