N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide

C11H20N2O2 — CID 112725202

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-6-7-10(15)13(5)8-9(14)12-11(2,3)4/h6-7H,8H2,1-5H3,(H,12,14)
InChIKeyITYIVKZTXLOQMW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.94
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide (PubChem CID 112725202) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
PubChem CID112725202
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-6-7-10(15)13(5)8-9(14)12-11(2,3)4/h6-7H,8H2,1-5H3,(H,12,14)
InChIKeyITYIVKZTXLOQMW-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide (CID 112725202) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide is CC=CC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide?
The InChIKey is ITYIVKZTXLOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6-7-10(15)13(5)8-9(14)12-11(2,3)4/h6-7H,8H2,1-5H3,(H,12,14).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide is sourced from PubChem (CID 112725202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).