N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride

C18H23ClN2O3 — CID 119419628

IUPACN-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCCOc2cccc(C)c2)cc1N.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-13-5-3-6-15(11-13)23-10-4-7-18(21)20-14-8-9-17(22-2)16(19)12-14;/h3,5-6,8-9,11-12H,4,7,10,19H2,1-2H3,(H,20,21);1H
InChIKeyVKEQMPBVJHYPHU-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.81
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride (PubChem CID 119419628) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
PubChem CID119419628
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCCOc2cccc(C)c2)cc1N.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-13-5-3-6-15(11-13)23-10-4-7-18(21)20-14-8-9-17(22-2)16(19)12-14;/h3,5-6,8-9,11-12H,4,7,10,19H2,1-2H3,(H,20,21);1H
InChIKeyVKEQMPBVJHYPHU-UHFFFAOYSA-N
XLogP3.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
CID 119419203
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
methyl 4,5-dimethoxy-2-[4-(3-methylphenoxy)butanoylamino]benzoate
CID 8801684
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride (CID 119419628) is N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride is COc1ccc(NC(=O)CCCOc2cccc(C)c2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride?
The InChIKey is VKEQMPBVJHYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-13-5-3-6-15(11-13)23-10-4-7-18(21)20-14-8-9-17(22-2)16(19)12-14;/h3,5-6,8-9,11-12H,4,7,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119419628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).