4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride

C13H20BrClN2O2 — CID 120590463

IUPAC4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(10-3-5-11(14)6-4-10)16-13(17)7-12(8-15)18-2;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyUJEHERPLHOCGPT-UHFFFAOYSA-N
MW351.67 g/mol
LogP2.41
Rot. Bonds6

About 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120590463) has the molecular formula C13H20BrClN2O2 and a molecular weight of 351.67 g/mol. Its IUPAC name is 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120590463
Molecular FormulaC13H20BrClN2O2
Molecular Weight351.67 g/mol
Exact Mass350.04
IUPAC Name4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(10-3-5-11(14)6-4-10)16-13(17)7-12(8-15)18-2;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyUJEHERPLHOCGPT-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.67
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
ethyl 3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoate
CID 68866417
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867319
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride (CID 120590463) is 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(C)c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is UJEHERPLHOCGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2.ClH/c1-9(10-3-5-11(14)6-4-10)16-13(17)7-12(8-15)18-2;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 351.67 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120590463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).