2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide

C15H32N2O5S — CID 176734991

IUPAC2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)N(C)CCOCC(=O)NCCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C15H32N2O5S/c1-13(2)17(5)7-9-22-12-15(18)16-6-8-21-10-11-23(19,20)14(3)4/h13-14H,6-12H2,1-5H3,(H,16,18)
InChIKeyLSAXPBYWONZLTE-UHFFFAOYSA-N
MW352.50 g/mol
LogP0.30
Rot. Bonds13

About 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide

2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (PubChem CID 176734991) has the molecular formula C15H32N2O5S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
PubChem CID176734991
Molecular FormulaC15H32N2O5S
Molecular Weight352.50 g/mol
Exact Mass352.20
IUPAC Name2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)N(C)CCOCC(=O)NCCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C15H32N2O5S/c1-13(2)17(5)7-9-22-12-15(18)16-6-8-21-10-11-23(19,20)14(3)4/h13-14H,6-12H2,1-5H3,(H,16,18)
InChIKeyLSAXPBYWONZLTE-UHFFFAOYSA-N
XLogP0.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359456
2-(2-methoxyethoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 103614127
N-methyl-2-(2-propan-2-yloxyethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
CID 167408580
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methoxyacetamide
CID 103939815
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-methylsulfonylpropanamide
CID 110612720
N-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-propan-2-ylsulfonylpropanamide
CID 167584800
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 170362074
N-[2-[2-[2-[2-[2-[2-(dimethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 134469535
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (CID 176734991) is 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is CC(C)N(C)CCOCC(=O)NCCOCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The InChIKey is LSAXPBYWONZLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5S/c1-13(2)17(5)7-9-22-12-15(18)16-6-8-21-10-11-23(19,20)14(3)4/h13-14H,6-12H2,1-5H3,(H,16,18).
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 0.30, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is sourced from PubChem (CID 176734991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).