N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride

C13H21ClN2O2 — CID 120568425

IUPACN-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCOC(C)C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(2)17-7-6-13(16)15-12-8-11(14)5-4-10(12)3;/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16);1H
InChIKeyOIBDTWLGTSOJTC-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.75
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride (PubChem CID 120568425) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
PubChem CID120568425
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCOC(C)C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(2)17-7-6-13(16)15-12-8-11(14)5-4-10(12)3;/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16);1H
InChIKeyOIBDTWLGTSOJTC-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.75
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

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N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
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N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
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N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
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7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride (CID 120568425) is N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCOC(C)C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride?
The InChIKey is OIBDTWLGTSOJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9(2)17-7-6-13(16)15-12-8-11(14)5-4-10(12)3;/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.75, 5 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-propan-2-yloxypropanamide;hydrochloride is sourced from PubChem (CID 120568425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).