2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide

C9H19N3O2 — CID 9167202

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-9(2,3)11-8(14)6-12(4)5-7(10)13/h5-6H2,1-4H3,(H2,10,13)(H,11,14)
InChIKeyIUPQDUXDAXPAIN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.68
Rot. Bonds4

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9167202) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9167202
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-9(2,3)11-8(14)6-12(4)5-7(10)13/h5-6H2,1-4H3,(H2,10,13)(H,11,14)
InChIKeyIUPQDUXDAXPAIN-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide (CID 9167202) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(N)=O)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is IUPQDUXDAXPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)11-8(14)6-12(4)5-7(10)13/h5-6H2,1-4H3,(H2,10,13)(H,11,14).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 201.27 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9167202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).