N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride

C19H25ClN2O2 — CID 120568903

IUPACN-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCOc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(2)15-5-8-17(9-6-15)23-11-10-19(22)21-18-12-16(20)7-4-14(18)3;/h4-9,12-13H,10-11,20H2,1-3H3,(H,21,22);1H
InChIKeyYMZOIJZLLGXLES-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.53
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 120568903) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID120568903
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCOc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(2)15-5-8-17(9-6-15)23-11-10-19(22)21-18-12-16(20)7-4-14(18)3;/h4-9,12-13H,10-11,20H2,1-3H3,(H,21,22);1H
InChIKeyYMZOIJZLLGXLES-UHFFFAOYSA-N
XLogP4.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107699338
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride (CID 120568903) is N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCOc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is YMZOIJZLLGXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-13(2)15-5-8-17(9-6-15)23-11-10-19(22)21-18-12-16(20)7-4-14(18)3;/h4-9,12-13H,10-11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120568903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).