N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride

C18H22BrClN2O2 — CID 119997803

IUPACN-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
SMILESCC(CN)CNC(=O)C(Oc1ccc(Br)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H21BrN2O2.ClH/c1-13(11-20)12-21-18(22)17(14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16;/h2-10,13,17H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyGINRATTXHUNTBF-UHFFFAOYSA-N
MW413.74 g/mol
LogP3.70
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride (PubChem CID 119997803) has the molecular formula C18H22BrClN2O2 and a molecular weight of 413.74 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
PubChem CID119997803
Molecular FormulaC18H22BrClN2O2
Molecular Weight413.74 g/mol
Exact Mass412.06
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
SMILESCC(CN)CNC(=O)C(Oc1ccc(Br)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H21BrN2O2.ClH/c1-13(11-20)12-21-18(22)17(14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16;/h2-10,13,17H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyGINRATTXHUNTBF-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830330
N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119613614
4-[2-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81063444
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
CID 119432773
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830171
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
[(2S)-2-(4-bromophenoxy)propyl]carbamic acid
CID 68731194
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride (CID 119997803) is N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride is CC(CN)CNC(=O)C(Oc1ccc(Br)cc1)c1ccccc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
The InChIKey is GINRATTXHUNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2.ClH/c1-13(11-20)12-21-18(22)17(14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16;/h2-10,13,17H,11-12,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride has a molecular weight of 413.74 g/mol, XLogP of 3.70, 7 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-(4-bromophenoxy)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119997803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).