N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide

C10H18N2O2 — CID 54511083

IUPACN-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC(N)=O)C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)9(14)12(6-8(11)13)10(3,4)5/h1,6H2,2-5H3,(H2,11,13)
InChIKeyYJDZENNJHOPFFK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.67
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide

N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide (PubChem CID 54511083) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide
PubChem CID54511083
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC(N)=O)C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)9(14)12(6-8(11)13)10(3,4)5/h1,6H2,2-5H3,(H2,11,13)
InChIKeyYJDZENNJHOPFFK-UHFFFAOYSA-N
XLogP0.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.67
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-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide (CID 54511083) is N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CC(N)=O)C(C)(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide?
The InChIKey is YJDZENNJHOPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)9(14)12(6-8(11)13)10(3,4)5/h1,6H2,2-5H3,(H2,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide?
N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide is sourced from PubChem (CID 54511083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).