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

C31H49NO2Si — CID 70819093

IUPACN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C31H49NO2Si/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/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3
InChIKeyRDAHCXGVRPEICS-UHFFFAOYSA-N
MW495.82 g/mol
LogP6.94
Rot. Bonds15

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

N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide (PubChem CID 70819093) has the molecular formula C31H49NO2Si and a molecular weight of 495.82 g/mol. Its IUPAC name is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
PubChem CID70819093
Molecular FormulaC31H49NO2Si
Molecular Weight495.82 g/mol
Exact Mass495.35
IUPAC NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C31H49NO2Si/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/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3
InChIKeyRDAHCXGVRPEICS-UHFFFAOYSA-N
XLogP6.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.82
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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?
The IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide (CID 70819093) is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide is 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?
The InChIKey is RDAHCXGVRPEICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO2Si/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/h10-11,13-16,20-23,27H,7-9,12,17-19,24-26H2,1-6H3.
What are the key properties of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide?
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide has a molecular weight of 495.82 g/mol, XLogP of 6.94, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 70819093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).