2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride

C17H29Cl2N3O3 — CID 119878435

IUPAC2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(C(C)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-14(20-8-11-23-12-9-20)15-3-5-16(6-4-15)19-17(21)13-18-7-10-22-2;;/h3-6,14,18H,7-13H2,1-2H3,(H,19,21);2*1H
InChIKeyHUSGHEHGYRKGLI-UHFFFAOYSA-N
MW394.34 g/mol
LogP2.10
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride (PubChem CID 119878435) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
PubChem CID119878435
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC Name2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(C(C)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-14(20-8-11-23-12-9-20)15-3-5-16(6-4-15)19-17(21)13-18-7-10-22-2;;/h3-6,14,18H,7-13H2,1-2H3,(H,19,21);2*1H
InChIKeyHUSGHEHGYRKGLI-UHFFFAOYSA-N
XLogP2.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride (CID 119878435) is 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride is COCCNCC(=O)Nc1ccc(C(C)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is HUSGHEHGYRKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-14(20-8-11-23-12-9-20)15-3-5-16(6-4-15)19-17(21)13-18-7-10-22-2;;/h3-6,14,18H,7-13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-(1-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119878435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).