N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide

C23H44N4O6Si — CID 140787459

IUPACN-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
SMILESCC(=O)NC1C(OCCCCCCO[Si](C)(C)C(C)(C)C)OC(CN=[N+]=[N-])C2OC(C)(C)OC12
InChIInChI=1S/C23H44N4O6Si/c1-16(28)26-18-20-19(32-23(5,6)33-20)17(15-25-27-24)31-21(18)29-13-11-9-10-12-14-30-34(7,8)22(2,3)4/h17-21H,9-15H2,1-8H3,(H,26,28)
InChIKeyRZDJADHJYLODAY-UHFFFAOYSA-N
MW500.71 g/mol
LogP4.65
Rot. Bonds12

About N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide

N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide (PubChem CID 140787459) has the molecular formula C23H44N4O6Si and a molecular weight of 500.71 g/mol. Its IUPAC name is N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
PubChem CID140787459
Molecular FormulaC23H44N4O6Si
Molecular Weight500.71 g/mol
Exact Mass500.30
IUPAC NameN-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
SMILESCC(=O)NC1C(OCCCCCCO[Si](C)(C)C(C)(C)C)OC(CN=[N+]=[N-])C2OC(C)(C)OC12
InChIInChI=1S/C23H44N4O6Si/c1-16(28)26-18-20-19(32-23(5,6)33-20)17(15-25-27-24)31-21(18)29-13-11-9-10-12-14-30-34(7,8)22(2,3)4/h17-21H,9-15H2,1-8H3,(H,26,28)
InChIKeyRZDJADHJYLODAY-UHFFFAOYSA-N
XLogP4.65
TPSA124.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.71
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide?
The IUPAC name of N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide (CID 140787459) is N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide.
What is the SMILES notation for N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide?
The canonical SMILES for N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide is CC(=O)NC1C(OCCCCCCO[Si](C)(C)C(C)(C)C)OC(CN=[N+]=[N-])C2OC(C)(C)OC12.
What is the InChIKey of N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide?
The InChIKey is RZDJADHJYLODAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O6Si/c1-16(28)26-18-20-19(32-23(5,6)33-20)17(15-25-27-24)31-21(18)29-13-11-9-10-12-14-30-34(7,8)22(2,3)4/h17-21H,9-15H2,1-8H3,(H,26,28).
What are the key properties of N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide?
N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide has a molecular weight of 500.71 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azidomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide is sourced from PubChem (CID 140787459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).