N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C13H23N3O3S — CID 30471756

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CN1CSCC1=O
InChIInChI=1S/C13H23N3O3S/c1-5-15(6-10(17)14-13(2,3)4)11(18)7-16-9-20-8-12(16)19/h5-9H2,1-4H3,(H,14,17)
InChIKeyUTJMEYJEYSIUPH-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.28
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 30471756) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID30471756
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CN1CSCC1=O
InChIInChI=1S/C13H23N3O3S/c1-5-15(6-10(17)14-13(2,3)4)11(18)7-16-9-20-8-12(16)19/h5-9H2,1-4H3,(H,14,17)
InChIKeyUTJMEYJEYSIUPH-UHFFFAOYSA-N
XLogP0.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 30471756) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)CN1CSCC1=O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is UTJMEYJEYSIUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-5-15(6-10(17)14-13(2,3)4)11(18)7-16-9-20-8-12(16)19/h5-9H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 30471756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).