5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride

C18H23ClN2O2 — CID 120620042

IUPAC5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
SMILESCOc1ccc(C(C)N(C)C(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12-5-8-15(19)11-17(12)18(21)20(3)13(2)14-6-9-16(22-4)10-7-14;/h5-11,13H,19H2,1-4H3;1H
InChIKeyTZVVAYXAAMZCBQ-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.84
Rot. Bonds4

About 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride

5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120620042) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
PubChem CID120620042
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
SMILESCOc1ccc(C(C)N(C)C(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12-5-8-15(19)11-17(12)18(21)20(3)13(2)14-6-9-16(22-4)10-7-14;/h5-11,13H,19H2,1-4H3;1H
InChIKeyTZVVAYXAAMZCBQ-UHFFFAOYSA-N
XLogP3.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120628690
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide
CID 95217140
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
CID 18102328
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride (CID 120620042) is 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride is COc1ccc(C(C)N(C)C(=O)c2cc(N)ccc2C)cc1.Cl.
What is the InChIKey of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is TZVVAYXAAMZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-12-5-8-15(19)11-17(12)18(21)20(3)13(2)14-6-9-16(22-4)10-7-14;/h5-11,13H,19H2,1-4H3;1H.
What are the key properties of 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120620042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).