3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C14H23ClN2O3 — CID 119500932

IUPAC3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(OCCCOC)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-15-7-8-16-14(17)12-5-3-6-13(11-12)19-10-4-9-18-2;/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17);1H
InChIKeyIJJIQPDZBUEUOD-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.47
Rot. Bonds9

About 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride

3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119500932) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119500932
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(OCCCOC)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-15-7-8-16-14(17)12-5-3-6-13(11-12)19-10-4-9-18-2;/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17);1H
InChIKeyIJJIQPDZBUEUOD-UHFFFAOYSA-N
XLogP1.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.47
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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Related Compounds

3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119500932) is 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cccc(OCCCOC)c1.Cl.
What is the InChIKey of 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is IJJIQPDZBUEUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-15-7-8-16-14(17)12-5-3-6-13(11-12)19-10-4-9-18-2;/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119500932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).