2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H22BrClN2O2 — CID 120784075

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10(12-4-2-3-5-13(12)16)18-15(19)14(17)11-6-8-20-9-7-11;/h2-5,10-11,14H,6-9,17H2,1H3,(H,18,19);1H
InChIKeyJLLHYERTPOWLBT-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120784075) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120784075
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10(12-4-2-3-5-13(12)16)18-15(19)14(17)11-6-8-20-9-7-11;/h2-5,10-11,14H,6-9,17H2,1H3,(H,18,19);1H
InChIKeyJLLHYERTPOWLBT-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
CID 120791363
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787967
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793021
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120784075) is 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is CC(NC(=O)C(N)C1CCOCC1)c1ccccc1Br.Cl.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is JLLHYERTPOWLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-10(12-4-2-3-5-13(12)16)18-15(19)14(17)11-6-8-20-9-7-11;/h2-5,10-11,14H,6-9,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120784075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).