N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide

C13H28N2O3 — CID 135296593

IUPACN-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCOCCCNC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)15-8-6-10-18-9-5-7-14-12(16)11-17-4/h15H,5-11H2,1-4H3,(H,14,16)
InChIKeyJYGGCKCBYXGUHP-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.93
Rot. Bonds10

About N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide

N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide (PubChem CID 135296593) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
PubChem CID135296593
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCOCCCNC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)15-8-6-10-18-9-5-7-14-12(16)11-17-4/h15H,5-11H2,1-4H3,(H,14,16)
InChIKeyJYGGCKCBYXGUHP-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.93
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-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
ethane;2-methoxy-N-[3-[4-(methylamino)butoxy]propyl]acetamide
CID 176551860
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N'-[3-(2-methylbutan-2-yloxy)propyl]pentanediamide
CID 130272018
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide (CID 135296593) is N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide is COCC(=O)NCCCOCCCNC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide?
The InChIKey is JYGGCKCBYXGUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-13(2,3)15-8-6-10-18-9-5-7-14-12(16)11-17-4/h15H,5-11H2,1-4H3,(H,14,16).
What are the key properties of N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide?
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide has a molecular weight of 260.38 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide is sourced from PubChem (CID 135296593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).