2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride

C13H29Cl2N3O3 — CID 119852507

IUPAC2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C13H27N3O3.2ClH/c1-18-9-5-14-12-13(17)15-4-2-3-6-16-7-10-19-11-8-16;;/h14H,2-12H2,1H3,(H,15,17);2*1H
InChIKeyOWVPSTHBLWHBAA-UHFFFAOYSA-N
MW346.30 g/mol
LogP0.29
Rot. Bonds10

About 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride (PubChem CID 119852507) has the molecular formula C13H29Cl2N3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
PubChem CID119852507
Molecular FormulaC13H29Cl2N3O3
Molecular Weight346.30 g/mol
Exact Mass345.16
IUPAC Name2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C13H27N3O3.2ClH/c1-18-9-5-14-12-13(17)15-4-2-3-6-16-7-10-19-11-8-16;;/h14H,2-12H2,1H3,(H,15,17);2*1H
InChIKeyOWVPSTHBLWHBAA-UHFFFAOYSA-N
XLogP0.29
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 50.29
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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Related Compounds

2-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994050
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
3-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109015495
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide
CID 3849029
2-(2-methoxyethylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119724840
4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
CID 55848187
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride (CID 119852507) is 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride is COCCNCC(=O)NCCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride?
The InChIKey is OWVPSTHBLWHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3.2ClH/c1-18-9-5-14-12-13(17)15-4-2-3-6-16-7-10-19-11-8-16;;/h14H,2-12H2,1H3,(H,15,17);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 0.29, 10 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-morpholin-4-ylbutyl)acetamide;dihydrochloride is sourced from PubChem (CID 119852507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).