5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

C30H42N8O6Si — CID 162453078

IUPAC5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1C(=O)C(=O)N(C(N)=O)CC1C/C(=N\O[Si](C)(C)C(C)(C)C)[C@@H]1c2c(cnn2C)[C@@H]2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C30H42N8O6Si/c1-8-35-20(16-37(28(31)41)27(40)26(35)39)14-22(33-44-45(6,7)30(2,3)4)25-24-21(15-32-34(24)5)23-17-36(25)29(42)38(23)43-18-19-12-10-9-11-13-19/h9-13,15,20,23,25H,8,14,16-18H2,1-7H3,(H2,31,41)/b33-22+/t20?,23-,25+/m0/s1
InChIKeyZXUGRKXBXNNSEI-MPKCGTGRSA-N
MW638.80 g/mol
LogP3.29
Rot. Bonds9

About 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide (PubChem CID 162453078) has the molecular formula C30H42N8O6Si and a molecular weight of 638.80 g/mol. Its IUPAC name is 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound Name5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
PubChem CID162453078
Molecular FormulaC30H42N8O6Si
Molecular Weight638.80 g/mol
Exact Mass638.30
IUPAC Name5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1C(=O)C(=O)N(C(N)=O)CC1C/C(=N\O[Si](C)(C)C(C)(C)C)[C@@H]1c2c(cnn2C)[C@@H]2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C30H42N8O6Si/c1-8-35-20(16-37(28(31)41)27(40)26(35)39)14-22(33-44-45(6,7)30(2,3)4)25-24-21(15-32-34(24)5)23-17-36(25)29(42)38(23)43-18-19-12-10-9-11-13-19/h9-13,15,20,23,25H,8,14,16-18H2,1-7H3,(H2,31,41)/b33-22+/t20?,23-,25+/m0/s1
InChIKeyZXUGRKXBXNNSEI-MPKCGTGRSA-N
XLogP3.29
TPSA155.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide (CID 162453078) is 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide is CCN1C(=O)C(=O)N(C(N)=O)CC1C/C(=N\O[Si](C)(C)C(C)(C)C)[C@@H]1c2c(cnn2C)[C@@H]2CN1C(=O)N2OCc1ccccc1.
What is the InChIKey of 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is ZXUGRKXBXNNSEI-MPKCGTGRSA-N. The full InChI is InChI=1S/C30H42N8O6Si/c1-8-35-20(16-37(28(31)41)27(40)26(35)39)14-22(33-44-45(6,7)30(2,3)4)25-24-21(15-32-34(24)5)23-17-36(25)29(42)38(23)43-18-19-12-10-9-11-13-19/h9-13,15,20,23,25H,8,14,16-18H2,1-7H3,(H2,31,41)/b33-22+/t20?,23-,25+/m0/s1.
What are the key properties of 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide?
5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 638.80 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-2-[(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 162453078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).