2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide

C13H27NO4S — CID 166816741

IUPAC2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCSC(C)OCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)13(15)14-5-6-16-7-8-17-9-10-18-12(3)19-4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyZGDSMIGYQKCTLJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.52
Rot. Bonds12

About 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 166816741) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID166816741
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCSC(C)OCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)13(15)14-5-6-16-7-8-17-9-10-18-12(3)19-4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyZGDSMIGYQKCTLJ-UHFFFAOYSA-N
XLogP1.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
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
2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 138727149
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
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-(3-tritiopropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 159896398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide (CID 166816741) is 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide is CSC(C)OCCOCCOCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is ZGDSMIGYQKCTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-11(2)13(15)14-5-6-16-7-8-17-9-10-18-12(3)19-4/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 293.43 g/mol, XLogP of 1.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(1-methylsulfanylethoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 166816741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).