N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide

C6H11ClN2O2 — CID 43374084

IUPACN-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)CCCl
InChIInChI=1S/C6H11ClN2O2/c1-9(4-5(8)10)6(11)2-3-7/h2-4H2,1H3,(H2,8,10)
InChIKeyZYNIXMIHOZJBKN-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.44
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide

N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide (PubChem CID 43374084) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide
PubChem CID43374084
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)CCCl
InChIInChI=1S/C6H11ClN2O2/c1-9(4-5(8)10)6(11)2-3-7/h2-4H2,1H3,(H2,8,10)
InChIKeyZYNIXMIHOZJBKN-UHFFFAOYSA-N
XLogP-0.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.44
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

N,N'-bis(3-chloropropyl)oxamide
CID 1581494
3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60949951
N-(2-Amino-2-oxoethyl)-4-chlorobutanamide
CID 14419005
3-Chloro-N-[2-(diethylamino)ethyl]propanamide
CID 16788062
alpha-CHLOROACETYLSARCOSINAMIDE
CID 19981542
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375057
N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 57998987
3-chloro-N-[2-[2-(methylamino)ethyl-propylamino]ethyl]propanamide
CID 60069183
(2R)-2-amino-3-chloro-N-(2-oxopropyl)propanamide
CID 88548448
N'-(3-chloropropyl)oxamide
CID 108496311
(2R)-2-amino-3-chloro-N-propan-2-ylpropanamide
CID 118391274
N-(2-amino-2-oxoethyl)-N-[(2R)-2-chloropropyl]-2-cyanoacetamide
CID 175048111

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide (CID 43374084) is N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide is CN(CC(N)=O)C(=O)CCCl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide?
The InChIKey is ZYNIXMIHOZJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-9(4-5(8)10)6(11)2-3-7/h2-4H2,1H3,(H2,8,10).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide?
N-(2-amino-2-oxoethyl)-3-chloro-N-methylpropanamide has a molecular weight of 178.62 g/mol, XLogP of -0.44, 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-methylpropanamide is sourced from PubChem (CID 43374084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).