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

C17H18ClNO4 — CID 9007896

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-21-15-4-2-3-5-16(15)23-12-17(20)19-10-11-22-14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOQPNYEVDJUYXRR-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.92
Rot. Bonds8

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

N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 9007896) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID9007896
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-21-15-4-2-3-5-16(15)23-12-17(20)19-10-11-22-14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyOQPNYEVDJUYXRR-UHFFFAOYSA-N
XLogP2.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 27894835
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
2-(2-methoxyphenoxy)-N-[4-(4-phenylmethoxyphenoxy)butyl]acetamide
CID 24677341
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108574386
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 9007896) is N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is OQPNYEVDJUYXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-21-15-4-2-3-5-16(15)23-12-17(20)19-10-11-22-14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 335.79 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 9007896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).