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

C14H30N2O5S — CID 176735018

IUPAC2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)NCCOCC(=O)NCCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C14H30N2O5S/c1-12(2)15-5-8-21-11-14(17)16-6-7-20-9-10-22(18,19)13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyQJUBOHPMHJAHBF-UHFFFAOYSA-N
MW338.47 g/mol
LogP-0.04
Rot. Bonds13

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

2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (PubChem CID 176735018) has the molecular formula C14H30N2O5S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
PubChem CID176735018
Molecular FormulaC14H30N2O5S
Molecular Weight338.47 g/mol
Exact Mass338.19
IUPAC Name2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
SMILESCC(C)NCCOCC(=O)NCCOCCS(=O)(=O)C(C)C
InChIInChI=1S/C14H30N2O5S/c1-12(2)15-5-8-21-11-14(17)16-6-7-20-9-10-22(18,19)13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyQJUBOHPMHJAHBF-UHFFFAOYSA-N
XLogP-0.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide (CID 176735018) is 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is CC(C)NCCOCC(=O)NCCOCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
The InChIKey is QJUBOHPMHJAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O5S/c1-12(2)15-5-8-21-11-14(17)16-6-7-20-9-10-22(18,19)13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide?
2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide has a molecular weight of 338.47 g/mol, XLogP of -0.04, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethoxy]-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide is sourced from PubChem (CID 176735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).