N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide

C8H15ClN2O2 — CID 63680724

IUPACN-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
SMILESCN(CC(N)=O)C(=O)C(C)(C)CCl
InChIInChI=1S/C8H15ClN2O2/c1-8(2,5-9)7(13)11(3)4-6(10)12/h4-5H2,1-3H3,(H2,10,12)
InChIKeyOTCZIEFXKZCKPX-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.20
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide

N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide (PubChem CID 63680724) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
PubChem CID63680724
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide
SMILESCN(CC(N)=O)C(=O)C(C)(C)CCl
InChIInChI=1S/C8H15ClN2O2/c1-8(2,5-9)7(13)11(3)4-6(10)12/h4-5H2,1-3H3,(H2,10,12)
InChIKeyOTCZIEFXKZCKPX-UHFFFAOYSA-N
XLogP0.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide (CID 63680724) is N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide is CN(CC(N)=O)C(=O)C(C)(C)CCl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide?
The InChIKey is OTCZIEFXKZCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-8(2,5-9)7(13)11(3)4-6(10)12/h4-5H2,1-3H3,(H2,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide?
N-(2-amino-2-oxoethyl)-3-chloro-N,2,2-trimethylpropanamide has a molecular weight of 206.67 g/mol, XLogP of 0.20, 4 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)-3-chloro-N,2,2-trimethylpropanamide is sourced from PubChem (CID 63680724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).