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

C12H26N2O3 — CID 123782464

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide
SMILESCCCC(C)(C)NC(=O)COCCOCCN
InChIInChI=1S/C12H26N2O3/c1-4-5-12(2,3)14-11(15)10-17-9-8-16-7-6-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyXKKFQRICGGHCIQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds10

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

2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide (PubChem CID 123782464) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide
PubChem CID123782464
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide
SMILESCCCC(C)(C)NC(=O)COCCOCCN
InChIInChI=1S/C12H26N2O3/c1-4-5-12(2,3)14-11(15)10-17-9-8-16-7-6-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyXKKFQRICGGHCIQ-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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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Related Compounds

2-[2-(2-aminoethoxy)ethoxy]-N-tert-butylacetamide
CID 58482794
2-(2-aminoethoxy)-N-tert-butylacetamide
CID 62343421
N-butyl-2-[2-[2-(propylamino)ethoxy]ethoxy]acetamide
CID 89136627
N-(4-amino-2,4-dimethylpentan-2-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide
CID 90184467
2-(2-methoxyethoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 113752388
2-[2-(2-aminoethoxy)ethoxy]-N-(4-amino-4-methylpentan-2-yl)acetamide
CID 117838275
N-butyl-2-[2-[2-(methylamino)ethoxy]ethoxy]acetamide
CID 123284825
2-[2-[[4-[[2-(2-Amino-2-oxoethoxy)acetyl]amino]-2,4-dimethylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 123313081
N-(5-amino-3,5-dimethylhexan-3-yl)-2-[2-(2-aminoethoxy)ethoxy]acetamide
CID 123543730
2-[2-(2-aminoethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide
CID 123643566
2-[2-(2-aminoethoxy)ethoxy]-N-butylacetamide
CID 123992005
2-[2-(2-ethoxyethoxy)ethoxy]-N-(4-methylpentan-2-yl)acetamide
CID 124138897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide (CID 123782464) is 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide is CCCC(C)(C)NC(=O)COCCOCCN.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide?
The InChIKey is XKKFQRICGGHCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-5-12(2,3)14-11(15)10-17-9-8-16-7-6-13/h4-10,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide?
2-[2-(2-aminoethoxy)ethoxy]-N-(2-methylpentan-2-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.67, 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-(2-methylpentan-2-yl)acetamide is sourced from PubChem (CID 123782464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).