N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide

C15H31NO6S — CID 138728417

IUPACN-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCSCOCCOCCOCCOCCNC(=O)COC(C)C
InChIInChI=1S/C15H31NO6S/c1-14(2)22-12-15(17)16-4-5-18-6-7-19-8-9-20-10-11-21-13-23-3/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyXLXOAYXBRWXEQW-UHFFFAOYSA-N
MW353.48 g/mol
LogP0.91
Rot. Bonds17

About N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide

N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 138728417) has the molecular formula C15H31NO6S and a molecular weight of 353.48 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID138728417
Molecular FormulaC15H31NO6S
Molecular Weight353.48 g/mol
Exact Mass353.19
IUPAC NameN-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCSCOCCOCCOCCOCCNC(=O)COC(C)C
InChIInChI=1S/C15H31NO6S/c1-14(2)22-12-15(17)16-4-5-18-6-7-19-8-9-20-10-11-21-13-23-3/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyXLXOAYXBRWXEQW-UHFFFAOYSA-N
XLogP0.91
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616578
N-[2-(2-acetamidoethoxy)ethyl]-2-propan-2-yloxyacetamide
CID 142616646
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethyl]-2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]acetamide
CID 162749903
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
CID 165106125
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 138728417) is N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is CSCOCCOCCOCCOCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is XLXOAYXBRWXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO6S/c1-14(2)22-12-15(17)16-4-5-18-6-7-19-8-9-20-10-11-21-13-23-3/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 353.48 g/mol, XLogP of 0.91, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 138728417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).