3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride

C13H23Cl2N3O2 — CID 119871098

IUPAC3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
SMILESCOCCN(C)CCNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O2.2ClH/c1-16(8-9-18-2)7-6-15-13(17)11-4-3-5-12(14)10-11;;/h3-5,10H,6-9,14H2,1-2H3,(H,15,17);2*1H
InChIKeyVKDUZQNJYYFSGD-UHFFFAOYSA-N
MW324.25 g/mol
LogP1.42
Rot. Bonds7

About 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride

3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride (PubChem CID 119871098) has the molecular formula C13H23Cl2N3O2 and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
PubChem CID119871098
Molecular FormulaC13H23Cl2N3O2
Molecular Weight324.25 g/mol
Exact Mass323.12
IUPAC Name3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
SMILESCOCCN(C)CCNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O2.2ClH/c1-16(8-9-18-2)7-6-15-13(17)11-4-3-5-12(14)10-11;;/h3-5,10H,6-9,14H2,1-2H3,(H,15,17);2*1H
InChIKeyVKDUZQNJYYFSGD-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride (CID 119871098) is 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride is COCCN(C)CCNC(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride?
The InChIKey is VKDUZQNJYYFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.2ClH/c1-16(8-9-18-2)7-6-15-13(17)11-4-3-5-12(14)10-11;;/h3-5,10H,6-9,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride?
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride has a molecular weight of 324.25 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119871098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).