N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide

C48H70N4O4Si2 — CID 11814793

IUPACN-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide
SMILESCN(CCCCCCN(C)CCC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C48H70N4O4Si2/c1-47(2,3)57(41-27-17-13-18-28-41,42-29-19-14-20-30-42)55-51(9)45(53)35-39-49(7)37-25-11-12-26-38-50(8)40-36-46(54)52(10)56-58(48(4,5)6,43-31-21-15-22-32-43)44-33-23-16-24-34-44/h13-24,27-34H,11-12,25-26,35-40H2,1-10H3
InChIKeyHAOFBSJBOWFJMO-UHFFFAOYSA-N
MW823.28 g/mol
LogP7.09
Rot. Bonds21

About N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide

N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide (PubChem CID 11814793) has the molecular formula C48H70N4O4Si2 and a molecular weight of 823.28 g/mol. Its IUPAC name is N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide
PubChem CID11814793
Molecular FormulaC48H70N4O4Si2
Molecular Weight823.28 g/mol
Exact Mass822.49
IUPAC NameN-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide
SMILESCN(CCCCCCN(C)CCC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C48H70N4O4Si2/c1-47(2,3)57(41-27-17-13-18-28-41,42-29-19-14-20-30-42)55-51(9)45(53)35-39-49(7)37-25-11-12-26-38-50(8)40-36-46(54)52(10)56-58(48(4,5)6,43-31-21-15-22-32-43)44-33-23-16-24-34-44/h13-24,27-34H,11-12,25-26,35-40H2,1-10H3
InChIKeyHAOFBSJBOWFJMO-UHFFFAOYSA-N
XLogP7.09
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.28
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
CID 174145246
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
CID 158723430
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
2,3-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohept-2-enoic acid
CID 70442473
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide (CID 11814793) is N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide is CN(CCCCCCN(C)CCC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide?
The InChIKey is HAOFBSJBOWFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H70N4O4Si2/c1-47(2,3)57(41-27-17-13-18-28-41,42-29-19-14-20-30-42)55-51(9)45(53)35-39-49(7)37-25-11-12-26-38-50(8)40-36-46(54)52(10)56-58(48(4,5)6,43-31-21-15-22-32-43)44-33-23-16-24-34-44/h13-24,27-34H,11-12,25-26,35-40H2,1-10H3.
What are the key properties of N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide?
N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide has a molecular weight of 823.28 g/mol, XLogP of 7.09, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(diphenyl)silyl]oxy-3-[6-[[3-[[tert-butyl(diphenyl)silyl]oxy-methylamino]-3-oxopropyl]-methylamino]hexyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 11814793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).