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

C46H80N2O4Si — CID 158641572

IUPACN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCO)C(C)C.CCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C31H49NO2Si.C15H31NO2/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)16(14(2)3)12-9-7-10-13-17/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3;14,17H,4-13H2,1-3H3
InChIKeyIALJKBJAKMIFCK-UHFFFAOYSA-N
MW753.24 g/mol
LogP10.30
Rot. Bonds26

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

N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide (PubChem CID 158641572) has the molecular formula C46H80N2O4Si and a molecular weight of 753.24 g/mol. Its IUPAC name is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide
PubChem CID158641572
Molecular FormulaC46H80N2O4Si
Molecular Weight753.24 g/mol
Exact Mass752.59
IUPAC NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCO)C(C)C.CCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C31H49NO2Si.C15H31NO2/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)16(14(2)3)12-9-7-10-13-17/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3;14,17H,4-13H2,1-3H3
InChIKeyIALJKBJAKMIFCK-UHFFFAOYSA-N
XLogP10.30
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.24
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide?
The IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide (CID 158641572) is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide?
The canonical SMILES for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide is CCCCCCC(=O)N(CCCCCO)C(C)C.CCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide?
The InChIKey is IALJKBJAKMIFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO2Si.C15H31NO2/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)16(14(2)3)12-9-7-10-13-17/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3;14,17H,4-13H2,1-3H3.
What are the key properties of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide?
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide has a molecular weight of 753.24 g/mol, XLogP of 10.30, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide;N-(5-hydroxypentyl)-N-propan-2-ylheptanamide is sourced from PubChem (CID 158641572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).