N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride

C18H23ClN2O3 — CID 119421763

IUPACN-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCOc2cccc(C)c2C)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-5-4-6-17(13(12)2)23-10-9-18(21)20-16-11-14(22-3)7-8-15(16)19;/h4-8,11H,9-10,19H2,1-3H3,(H,20,21);1H
InChIKeyCSMCZDUPQJFIDM-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.72
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride (PubChem CID 119421763) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
PubChem CID119421763
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)CCOc2cccc(C)c2C)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-5-4-6-17(13(12)2)23-10-9-18(21)20-16-11-14(22-3)7-8-15(16)19;/h4-8,11H,9-10,19H2,1-3H3,(H,20,21);1H
InChIKeyCSMCZDUPQJFIDM-UHFFFAOYSA-N
XLogP3.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.72
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

N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
CID 119421764
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,3-dimethylphenoxy)propanamide
CID 39821311
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31995785

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride (CID 119421763) is N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride is COc1ccc(N)c(NC(=O)CCOc2cccc(C)c2C)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The InChIKey is CSMCZDUPQJFIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-12-5-4-6-17(13(12)2)23-10-9-18(21)20-16-11-14(22-3)7-8-15(16)19;/h4-8,11H,9-10,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119421763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).