5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride

C18H23ClN2O3 — CID 120618208

IUPAC5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-13-4-5-14(19)12-17(13)18(21)20(2)10-11-23-16-8-6-15(22-3)7-9-16;/h4-9,12H,10-11,19H2,1-3H3;1H
InChIKeyLYJOZWFSDKCHIE-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.16
Rot. Bonds6

About 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride

5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120618208) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
PubChem CID120618208
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-13-4-5-14(19)12-17(13)18(21)20(2)10-11-23-16-8-6-15(22-3)7-9-16;/h4-9,12H,10-11,19H2,1-3H3;1H
InChIKeyLYJOZWFSDKCHIE-UHFFFAOYSA-N
XLogP3.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
CID 120626191
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120620042
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31285060
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride (CID 120618208) is 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride is COc1ccc(OCCN(C)C(=O)c2cc(N)ccc2C)cc1.Cl.
What is the InChIKey of 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is LYJOZWFSDKCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-13-4-5-14(19)12-17(13)18(21)20(2)10-11-23-16-8-6-15(22-3)7-9-16;/h4-9,12H,10-11,19H2,1-3H3;1H.
What are the key properties of 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120618208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).