2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide

C13H26N2O4 — CID 159896398

IUPAC2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILES[3H]CCC(=O)NCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C13H26N2O4/c1-4-12(16)14-5-7-18-9-10-19-8-6-15-13(17)11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)/i1T
InChIKeySJGFRCHXZOESRY-CNRUNOGKSA-N
MW276.37 g/mol
LogP0.32
Rot. Bonds12

About 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 159896398) has the molecular formula C13H26N2O4 and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide
PubChem CID159896398
Molecular FormulaC13H26N2O4
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILES[3H]CCC(=O)NCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C13H26N2O4/c1-4-12(16)14-5-7-18-9-10-19-8-6-15-13(17)11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)/i1T
InChIKeySJGFRCHXZOESRY-CNRUNOGKSA-N
XLogP0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.32
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

3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 138727149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide (CID 159896398) is 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide is [3H]CCC(=O)NCCOCCOCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SJGFRCHXZOESRY-CNRUNOGKSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-12(16)14-5-7-18-9-10-19-8-6-15-13(17)11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)/i1T.
What are the key properties of 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 276.37 g/mol, XLogP of 0.32, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 159896398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).