N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide

C16H33NO6 — CID 138656709

IUPACN-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILESCOCCCOCCOCCOCCOCC(=O)NC(C)(C)C
InChIInChI=1S/C16H33NO6/c1-16(2,3)17-15(18)14-23-13-12-22-11-10-21-9-8-20-7-5-6-19-4/h5-14H2,1-4H3,(H,17,18)
InChIKeyZPMVDUYYTAECCL-UHFFFAOYSA-N
MW335.44 g/mol
LogP1.00
Rot. Bonds15

About N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide

N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 138656709) has the molecular formula C16H33NO6 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
PubChem CID138656709
Molecular FormulaC16H33NO6
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC NameN-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILESCOCCCOCCOCCOCCOCC(=O)NC(C)(C)C
InChIInChI=1S/C16H33NO6/c1-16(2,3)17-15(18)14-23-13-12-22-11-10-21-9-8-20-7-5-6-19-4/h5-14H2,1-4H3,(H,17,18)
InChIKeyZPMVDUYYTAECCL-UHFFFAOYSA-N
XLogP1.00
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide (CID 138656709) is N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide is COCCCOCCOCCOCCOCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is ZPMVDUYYTAECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO6/c1-16(2,3)17-15(18)14-23-13-12-22-11-10-21-9-8-20-7-5-6-19-4/h5-14H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide?
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 335.44 g/mol, XLogP of 1.00, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 138656709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).