N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride

C18H23ClN2O3 — CID 119547417

IUPACN-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1cccc(C(=O)NCCc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-11-12-23-17-4-2-3-15(13-17)18(21)20-10-9-14-5-7-16(19)8-6-14;/h2-8,13H,9-12,19H2,1H3,(H,20,21);1H
InChIKeyADDJJYFLWLPYBQ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride (PubChem CID 119547417) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
PubChem CID119547417
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1cccc(C(=O)NCCc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-11-12-23-17-4-2-3-15(13-17)18(21)20-10-9-14-5-7-16(19)8-6-14;/h2-8,13H,9-12,19H2,1H3,(H,20,21);1H
InChIKeyADDJJYFLWLPYBQ-UHFFFAOYSA-N
XLogP2.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride (CID 119547417) is N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride is COCCOc1cccc(C(=O)NCCc2ccc(N)cc2)c1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride?
The InChIKey is ADDJJYFLWLPYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-22-11-12-23-17-4-2-3-15(13-17)18(21)20-10-9-14-5-7-16(19)8-6-14;/h2-8,13H,9-12,19H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119547417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).