N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride

C8H15ClN2O2 — CID 168874337

IUPACN-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
SMILESCCN(CC)C(=O)CN(C)C(=O)Cl
InChIInChI=1S/C8H15ClN2O2/c1-4-11(5-2)7(12)6-10(3)8(9)13/h4-6H2,1-3H3
InChIKeyRTCHLZSEEORTED-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride

N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride (PubChem CID 168874337) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
PubChem CID168874337
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
SMILESCCN(CC)C(=O)CN(C)C(=O)Cl
InChIInChI=1S/C8H15ClN2O2/c1-4-11(5-2)7(12)6-10(3)8(9)13/h4-6H2,1-3H3
InChIKeyRTCHLZSEEORTED-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
CID 60693102
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
CID 88722025
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974465
N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847996
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
N-[2-(diethylamino)-2-oxoethyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62835893

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride (CID 168874337) is N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride is CCN(CC)C(=O)CN(C)C(=O)Cl.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride?
The InChIKey is RTCHLZSEEORTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-4-11(5-2)7(12)6-10(3)8(9)13/h4-6H2,1-3H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride?
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride has a molecular weight of 206.67 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 168874337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).