N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide

C25H51NO6 — CID 91034110

IUPACN-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide
SMILESCC(C)(C)CCOC(C)(C)CCOC(C)(C)CCOC(C)(C)CCNC(=O)COCCO
InChIInChI=1S/C25H51NO6/c1-22(2,3)11-16-30-24(6,7)13-18-32-25(8,9)12-17-31-23(4,5)10-14-26-21(28)20-29-19-15-27/h27H,10-20H2,1-9H3,(H,26,28)
InChIKeyNTMKMIYJRIGJRD-UHFFFAOYSA-N
MW461.68 g/mol
LogP4.10
Rot. Bonds18

About N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide

N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide (PubChem CID 91034110) has the molecular formula C25H51NO6 and a molecular weight of 461.68 g/mol. Its IUPAC name is N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide.

Molecular Properties

Compound NameN-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide
PubChem CID91034110
Molecular FormulaC25H51NO6
Molecular Weight461.68 g/mol
Exact Mass461.37
IUPAC NameN-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide
SMILESCC(C)(C)CCOC(C)(C)CCOC(C)(C)CCOC(C)(C)CCNC(=O)COCCO
InChIInChI=1S/C25H51NO6/c1-22(2,3)11-16-30-24(6,7)13-18-32-25(8,9)12-17-31-23(4,5)10-14-26-21(28)20-29-19-15-27/h27H,10-20H2,1-9H3,(H,26,28)
InChIKeyNTMKMIYJRIGJRD-UHFFFAOYSA-N
XLogP4.10
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.68
LogP ≤ 54.10
H-Bond Donors ≤ 52
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-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide?
The IUPAC name of N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide (CID 91034110) is N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide.
What is the SMILES notation for N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide?
The canonical SMILES for N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide is CC(C)(C)CCOC(C)(C)CCOC(C)(C)CCOC(C)(C)CCNC(=O)COCCO.
What is the InChIKey of N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide?
The InChIKey is NTMKMIYJRIGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO6/c1-22(2,3)11-16-30-24(6,7)13-18-32-25(8,9)12-17-31-23(4,5)10-14-26-21(28)20-29-19-15-27/h27H,10-20H2,1-9H3,(H,26,28).
What are the key properties of N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide?
N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide has a molecular weight of 461.68 g/mol, XLogP of 4.10, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(3,3-dimethylbutoxy)-3-methylbutoxy]-3-methylbutoxy]-3-methylbutyl]-2-(2-hydroxyethoxy)acetamide is sourced from PubChem (CID 91034110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).