N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide

C13H19ClN2O2 — CID 60718587

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
SMILESCNC(C)C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-10(15-2)13(17)16(3)8-9-18-12-6-4-11(14)5-7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVNEBQGZLNYICIA-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide (PubChem CID 60718587) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
PubChem CID60718587
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
SMILESCNC(C)C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-10(15-2)13(17)16(3)8-9-18-12-6-4-11(14)5-7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVNEBQGZLNYICIA-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide 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

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657
1-[3-(4-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-1-methylurea
CID 119068006
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide (CID 60718587) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide is CNC(C)C(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide?
The InChIKey is VNEBQGZLNYICIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(15-2)13(17)16(3)8-9-18-12-6-4-11(14)5-7-12/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 60718587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).