N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H21Cl3N2O3 — CID 119754516

IUPACN-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O3.ClH/c1-20-8-6-17-10-14(19)18-5-2-7-21-13-4-3-11(15)9-12(13)16;/h3-4,9,17H,2,5-8,10H2,1H3,(H,18,19);1H
InChIKeyIIOPTRGRFMXAPB-UHFFFAOYSA-N
MW371.69 g/mol
LogP2.54
Rot. Bonds10

About N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119754516) has the molecular formula C14H21Cl3N2O3 and a molecular weight of 371.69 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119754516
Molecular FormulaC14H21Cl3N2O3
Molecular Weight371.69 g/mol
Exact Mass370.06
IUPAC NameN-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O3.ClH/c1-20-8-6-17-10-14(19)18-5-2-7-21-13-4-3-11(15)9-12(13)16;/h3-4,9,17H,2,5-8,10H2,1H3,(H,18,19);1H
InChIKeyIIOPTRGRFMXAPB-UHFFFAOYSA-N
XLogP2.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.69
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119754516) is N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCCCOc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is IIOPTRGRFMXAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3.ClH/c1-20-8-6-17-10-14(19)18-5-2-7-21-13-4-3-11(15)9-12(13)16;/h3-4,9,17H,2,5-8,10H2,1H3,(H,18,19);1H.
What are the key properties of N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 371.69 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119754516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).