2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide

C12H26N2O3 — CID 123643566

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)COCCOCCN
InChIInChI=1S/C12H26N2O3/c1-10(2)8-11(3)14-12(15)9-17-7-6-16-5-4-13/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyQRBJGKNDCOACAJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.53
Rot. Bonds10

About 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide

2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide (PubChem CID 123643566) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide
PubChem CID123643566
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)COCCOCCN
InChIInChI=1S/C12H26N2O3/c1-10(2)8-11(3)14-12(15)9-17-7-6-16-5-4-13/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyQRBJGKNDCOACAJ-UHFFFAOYSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide (CID 123643566) is 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide is CC(C)CC(C)NC(=O)COCCOCCN.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide?
The InChIKey is QRBJGKNDCOACAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-10(2)8-11(3)14-12(15)9-17-7-6-16-5-4-13/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide?
2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 123643566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).