4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride

C20H25ClN2O3 — CID 119549182

IUPAC4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
SMILESCC(=O)c1cccc(OCCCC(=O)NCCc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-15(23)17-4-2-5-19(14-17)25-13-3-6-20(24)22-12-11-16-7-9-18(21)10-8-16;/h2,4-5,7-10,14H,3,6,11-13,21H2,1H3,(H,22,24);1H
InChIKeyXUQQCMVWUYYOCA-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.41
Rot. Bonds9

About 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride

4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride (PubChem CID 119549182) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
PubChem CID119549182
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
SMILESCC(=O)c1cccc(OCCCC(=O)NCCc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-15(23)17-4-2-5-19(14-17)25-13-3-6-20(24)22-12-11-16-7-9-18(21)10-8-16;/h2,4-5,7-10,14H,3,6,11-13,21H2,1H3,(H,22,24);1H
InChIKeyXUQQCMVWUYYOCA-UHFFFAOYSA-N
XLogP3.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-(3-bromophenoxy)butanamide
CID 119548665
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417
4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 51099882
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
CID 8840794
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
2-(3-acetylphenoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 78808116
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
4-(3-acetylphenoxy)-N-propan-2-ylsulfonylbutanamide
CID 48910823
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride (CID 119549182) is 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride is CC(=O)c1cccc(OCCCC(=O)NCCc2ccc(N)cc2)c1.Cl.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride?
The InChIKey is XUQQCMVWUYYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-15(23)17-4-2-5-19(14-17)25-13-3-6-20(24)22-12-11-16-7-9-18(21)10-8-16;/h2,4-5,7-10,14H,3,6,11-13,21H2,1H3,(H,22,24);1H.
What are the key properties of 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride?
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119549182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).