N-[4-(aminomethyl)-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

C23H46N2O6Si — CID 140787460

IUPACN-[4-(aminomethyl)-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)C2OC(C)(C)OC12
InChIInChI=1S/C23H46N2O6Si/c1-16(26)25-18-20-19(30-23(5,6)31-20)17(15-24)29-21(18)27-13-11-9-10-12-14-28-32(7,8)22(2,3)4/h17-21H,9-15,24H2,1-8H3,(H,25,26)
InChIKeyWMRNPFQTSDTITB-UHFFFAOYSA-N
MW474.72 g/mol
LogP3.29
Rot. Bonds11

About N-[4-(aminomethyl)-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-(aminomethyl)-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 140787460) has the molecular formula C23H46N2O6Si and a molecular weight of 474.72 g/mol. Its IUPAC name is N-[4-(aminomethyl)-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-(aminomethyl)-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 CID140787460
Molecular FormulaC23H46N2O6Si
Molecular Weight474.72 g/mol
Exact Mass474.31
IUPAC NameN-[4-(aminomethyl)-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)C2OC(C)(C)OC12
InChIInChI=1S/C23H46N2O6Si/c1-16(26)25-18-20-19(30-23(5,6)31-20)17(15-24)29-21(18)27-13-11-9-10-12-14-28-32(7,8)22(2,3)4/h17-21H,9-15,24H2,1-8H3,(H,25,26)
InChIKeyWMRNPFQTSDTITB-UHFFFAOYSA-N
XLogP3.29
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.72
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(aminomethyl)-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-(aminomethyl)-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 140787460) is N-[4-(aminomethyl)-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-(aminomethyl)-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-(aminomethyl)-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)C2OC(C)(C)OC12.
What is the InChIKey of N-[4-(aminomethyl)-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 WMRNPFQTSDTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O6Si/c1-16(26)25-18-20-19(30-23(5,6)31-20)17(15-24)29-21(18)27-13-11-9-10-12-14-28-32(7,8)22(2,3)4/h17-21H,9-15,24H2,1-8H3,(H,25,26).
What are the key properties of N-[4-(aminomethyl)-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-(aminomethyl)-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 474.72 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-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 140787460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).