N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide

C27H40N2O3Si — CID 86716476

IUPACN-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40N2O3Si/c1-5-6-20-28-25(30)26(31)29-21-14-9-15-22-32-33(27(2,3)4,23-16-10-7-11-17-23)24-18-12-8-13-19-24/h7-8,10-13,16-19H,5-6,9,14-15,20-22H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyMMDNOAONLJJILK-UHFFFAOYSA-N
MW468.71 g/mol
LogP3.77
Rot. Bonds12

About N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide

N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide (PubChem CID 86716476) has the molecular formula C27H40N2O3Si and a molecular weight of 468.71 g/mol. Its IUPAC name is N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide
PubChem CID86716476
Molecular FormulaC27H40N2O3Si
Molecular Weight468.71 g/mol
Exact Mass468.28
IUPAC NameN-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40N2O3Si/c1-5-6-20-28-25(30)26(31)29-21-14-9-15-22-32-33(27(2,3)4,23-16-10-7-11-17-23)24-18-12-8-13-19-24/h7-8,10-13,16-19H,5-6,9,14-15,20-22H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyMMDNOAONLJJILK-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide?
The IUPAC name of N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide (CID 86716476) is N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide.
What is the SMILES notation for N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide?
The canonical SMILES for N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide is CCCCNC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide?
The InChIKey is MMDNOAONLJJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3Si/c1-5-6-20-28-25(30)26(31)29-21-14-9-15-22-32-33(27(2,3)4,23-16-10-7-11-17-23)24-18-12-8-13-19-24/h7-8,10-13,16-19H,5-6,9,14-15,20-22H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide?
N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide has a molecular weight of 468.71 g/mol, XLogP of 3.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[5-[tert-butyl(diphenyl)silyl]oxypentyl]oxamide is sourced from PubChem (CID 86716476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).