N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide

About N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide

N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 167420738) has the molecular formula C26H53NO8 and a molecular weight of 507.71 g/mol. Its IUPAC name is N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound Name	N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide
PubChem CID	167420738
Molecular Formula	C26H53NO8
Molecular Weight	507.71 g/mol
Exact Mass	507.38
IUPAC Name	N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide
SMILES	CC(C)CCOCCOCCOCCOCC(=O)NC(COC(C)C)(COC(C)C)COC(C)C
InChI	InChI=1S/C26H53NO8/c1-21(2)9-10-29-11-12-30-13-14-31-15-16-32-17-25(28)27-26(18-33-22(3)4,19-34-23(5)6)20-35-24(7)8/h21-24H,9-20H2,1-8H3,(H,27,28)
InChIKey	LTSCLHCRARRGBD-UHFFFAOYSA-N
XLogP	3.23
TPSA	93.71 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	24
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.71
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide?

The IUPAC name of N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide (CID 167420738) is N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide.

What is the SMILES notation for N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide?

The canonical SMILES for N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide is CC(C)CCOCCOCCOCCOCC(=O)NC(COC(C)C)(COC(C)C)COC(C)C.

What is the InChIKey of N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide?

The InChIKey is LTSCLHCRARRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO8/c1-21(2)9-10-29-11-12-30-13-14-31-15-16-32-17-25(28)27-26(18-33-22(3)4,19-34-23(5)6)20-35-24(7)8/h21-24H,9-20H2,1-8H3,(H,27,28).

What are the key properties of N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide?

N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 507.71 g/mol, XLogP of 3.23, 24 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 167420738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).