N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride

C12H18BrClN2O2 — CID 119997634

IUPACN-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
SMILESCC(CN)CNC(=O)COc1cccc(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(6-14)7-15-12(16)8-17-11-4-2-3-10(13)5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyYESBKRPKWAZQBH-UHFFFAOYSA-N
MW337.65 g/mol
LogP1.96
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride (PubChem CID 119997634) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
PubChem CID119997634
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC NameN-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
SMILESCC(CN)CNC(=O)COc1cccc(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(6-14)7-15-12(16)8-17-11-4-2-3-10(13)5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyYESBKRPKWAZQBH-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride (CID 119997634) is N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride is CC(CN)CNC(=O)COc1cccc(Br)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
The InChIKey is YESBKRPKWAZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-9(6-14)7-15-12(16)8-17-11-4-2-3-10(13)5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119997634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).