2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide

C13H19ClN2O2 — CID 62658790

IUPAC2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-2-7-15-8-9-16-13(17)10-18-12-5-3-11(14)4-6-12/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyWJDLENJTSXNCHM-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.83
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide (PubChem CID 62658790) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
PubChem CID62658790
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-2-7-15-8-9-16-13(17)10-18-12-5-3-11(14)4-6-12/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyWJDLENJTSXNCHM-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide (CID 62658790) is 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide is CCCNCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide?
The InChIKey is WJDLENJTSXNCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-7-15-8-9-16-13(17)10-18-12-5-3-11(14)4-6-12/h3-6,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 62658790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).