2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide

C8H17ClN2O — CID 132888355

IUPAC2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
SMILESCCN(CCN(C)C)C(=O)CCl
InChIInChI=1S/C8H17ClN2O/c1-4-11(8(12)7-9)6-5-10(2)3/h4-7H2,1-3H3
InChIKeyLDWOLMALNXVEOA-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.64
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide

2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide (PubChem CID 132888355) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
PubChem CID132888355
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
SMILESCCN(CCN(C)C)C(=O)CCl
InChIInChI=1S/C8H17ClN2O/c1-4-11(8(12)7-9)6-5-10(2)3/h4-7H2,1-3H3
InChIKeyLDWOLMALNXVEOA-UHFFFAOYSA-N
XLogP0.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
CID 60809657
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
CID 60693102
N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide
CID 89173401
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
CID 141407749
2-chloro-N,N-di(nonyl)acetamide
CID 533173
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid
CID 102991712
N-ethyl-N-propyl-3-sulfanylpropanamide
CID 107022413
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide (CID 132888355) is 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide is CCN(CCN(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The InChIKey is LDWOLMALNXVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O/c1-4-11(8(12)7-9)6-5-10(2)3/h4-7H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide has a molecular weight of 192.69 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide is sourced from PubChem (CID 132888355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).