N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide

C9H17ClN2O2 — CID 103101636

IUPACN-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(CC(N)=O)C(=O)C(C)(C)CCl
InChIInChI=1S/C9H17ClN2O2/c1-4-12(5-7(11)13)8(14)9(2,3)6-10/h4-6H2,1-3H3,(H2,11,13)
InChIKeyAFIRXJDEOGBLJK-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.59
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide

N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide (PubChem CID 103101636) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
PubChem CID103101636
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(CC(N)=O)C(=O)C(C)(C)CCl
InChIInChI=1S/C9H17ClN2O2/c1-4-12(5-7(11)13)8(14)9(2,3)6-10/h4-6H2,1-3H3,(H2,11,13)
InChIKeyAFIRXJDEOGBLJK-UHFFFAOYSA-N
XLogP0.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 63664432
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 63665265
3-Chloro-N-[2-(diethylamino)ethyl]propanamide
CID 16788062
2-[Acetyl(2,2-dimethylpropyl)amino]acetamide
CID 18329568
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375057
3-chloro-N-[2-[2-(methylamino)ethyl-propylamino]ethyl]propanamide
CID 60069183
N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-propylpropanamide
CID 89987554
3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43310555
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 43310975
N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide
CID 43374084
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide
CID 43374085
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide
CID 43375064

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide (CID 103101636) is N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide is CCN(CC(N)=O)C(=O)C(C)(C)CCl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is AFIRXJDEOGBLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-4-12(5-7(11)13)8(14)9(2,3)6-10/h4-6H2,1-3H3,(H2,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide?
N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 220.70 g/mol, XLogP of 0.59, 5 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-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 103101636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).