(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate

C38H49N3O6Si — CID 87138778

About (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate

(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate (PubChem CID 87138778) has the molecular formula C38H49N3O6Si and a molecular weight of 671.91 g/mol. Its IUPAC name is (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate.

Molecular Properties

• Compound Name: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate
• PubChem CID: 87138778
• Molecular Formula: C38H49N3O6Si
• Molecular Weight: 671.91 g/mol
• Exact Mass: 671.34
• IUPAC Name: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate
• SMILES: COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1NC(=O)CCc1ccc(-c2ccccc2)c(NC(=O)OC2CC3C4OC4C(C2)N3C)c1
• InChI: InChI=1S/C38H49N3O6Si/c1-38(2,3)48(6,7)45-23-25-14-17-29(33(20-25)44-5)39-34(42)18-15-24-13-16-28(26-11-9-8-10-12-26)30(19-24)40-37(43)46-27-21-31-35-36(47-35)32(22-27)41(31)4/h8-14,16-17,19-20,27,31-32,35-36H,15,18,21-23H2,1-7H3,(H,39,42)(H,40,43)
• InChIKey: QWVKEGWEASKJMW-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 101.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.91
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate?

The IUPAC name of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate (CID 87138778) is (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate.

What is the SMILES notation for (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate?

The canonical SMILES for (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate is COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1NC(=O)CCc1ccc(-c2ccccc2)c(NC(=O)OC2CC3C4OC4C(C2)N3C)c1.

What is the InChIKey of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate?

The InChIKey is QWVKEGWEASKJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N3O6Si/c1-38(2,3)48(6,7)45-23-25-14-17-29(33(20-25)44-5)39-34(42)18-15-24-13-16-28(26-11-9-8-10-12-26)30(19-24)40-37(43)46-27-21-31-35-36(47-35)32(22-27)41(31)4/h8-14,16-17,19-20,27,31-32,35-36H,15,18,21-23H2,1-7H3,(H,39,42)(H,40,43).

What are the key properties of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate?

(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate has a molecular weight of 671.91 g/mol, XLogP of 7.62, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) N-[5-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyanilino]-3-oxopropyl]-2-phenylphenyl]carbamate is sourced from PubChem (CID 87138778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).