2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide

C14H19Cl2NO4 — CID 134029604

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO4/c1-19-7-8-20-6-2-5-17-14(18)10-21-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3,(H,17,18)
InChIKeyYCCCZEUBJMFLGJ-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.54
Rot. Bonds10

About 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide

2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide (PubChem CID 134029604) has the molecular formula C14H19Cl2NO4 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
PubChem CID134029604
Molecular FormulaC14H19Cl2NO4
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO4/c1-19-7-8-20-6-2-5-17-14(18)10-21-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3,(H,17,18)
InChIKeyYCCCZEUBJMFLGJ-UHFFFAOYSA-N
XLogP2.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.54
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-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595
2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide (CID 134029604) is 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide is COCCOCCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The InChIKey is YCCCZEUBJMFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4/c1-19-7-8-20-6-2-5-17-14(18)10-21-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide has a molecular weight of 336.22 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide is sourced from PubChem (CID 134029604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).