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

C15H32N2O5S — CID 176734970

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

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

N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (PubChem CID 176734970) has the molecular formula C15H32N2O5S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
PubChem CID176734970
Molecular FormulaC15H32N2O5S
Molecular Weight352.50 g/mol
Exact Mass352.20
IUPAC NameN-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)NCCOCC(=O)N(C)CCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C15H32N2O5S/c1-13(2)16-6-8-22-12-15(18)17(5)7-9-21-10-11-23(19,20)14(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyAKTAYRNGGDHELE-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The IUPAC name of N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (CID 176734970) is N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is CC(C)NCCOCC(=O)N(C)CCOCCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The InChIKey is AKTAYRNGGDHELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5S/c1-13(2)16-6-8-22-12-15(18)17(5)7-9-21-10-11-23(19,20)14(3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
N-methyl-2-[2-(propan-2-ylamino)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 N-methyl-2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is sourced from PubChem (CID 176734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).