N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide

C46H79BrN2O3Si — CID 158723430

IUPACN-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCBr)C(C)C.CCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C31H49NO2Si.C15H30BrNO/c1-7-8-9-17-24-30(33)32(27(2)3)25-18-12-19-26-34-35(31(4,5)6,28-20-13-10-14-21-28)29-22-15-11-16-23-29;1-4-5-6-8-11-15(18)17(14(2)3)13-10-7-9-12-16/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3;14H,4-13H2,1-3H3
InChIKeyIKEWAZJRWFENQG-UHFFFAOYSA-N
MW816.14 g/mol
LogP11.70
Rot. Bonds26

About N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide

N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide (PubChem CID 158723430) has the molecular formula C46H79BrN2O3Si and a molecular weight of 816.14 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
PubChem CID158723430
Molecular FormulaC46H79BrN2O3Si
Molecular Weight816.14 g/mol
Exact Mass814.50
IUPAC NameN-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCBr)C(C)C.CCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C31H49NO2Si.C15H30BrNO/c1-7-8-9-17-24-30(33)32(27(2)3)25-18-12-19-26-34-35(31(4,5)6,28-20-13-10-14-21-28)29-22-15-11-16-23-29;1-4-5-6-8-11-15(18)17(14(2)3)13-10-7-9-12-16/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3;14H,4-13H2,1-3H3
InChIKeyIKEWAZJRWFENQG-UHFFFAOYSA-N
XLogP11.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.14
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide
CID 158535558
[7-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]-12-decanoyloxy-1,13-bis(heptylsulfanyl)tridecan-2-yl] decanoate
CID 171487419
[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
CID 174145246

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide?
The IUPAC name of N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide (CID 158723430) is N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide is CCCCCCC(=O)N(CCCCCBr)C(C)C.CCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide?
The InChIKey is IKEWAZJRWFENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO2Si.C15H30BrNO/c1-7-8-9-17-24-30(33)32(27(2)3)25-18-12-19-26-34-35(31(4,5)6,28-20-13-10-14-21-28)29-22-15-11-16-23-29;1-4-5-6-8-11-15(18)17(14(2)3)13-10-7-9-12-16/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3;14H,4-13H2,1-3H3.
What are the key properties of N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide?
N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide has a molecular weight of 816.14 g/mol, XLogP of 11.70, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 158723430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).