4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride

C15H24BrClN2O3 — CID 120561096

IUPAC4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride
SMILESCCOc1cc(Br)c(NC(=O)CCC(C)N)cc1OCC.Cl
InChIInChI=1S/C15H23BrN2O3.ClH/c1-4-20-13-8-11(16)12(9-14(13)21-5-2)18-15(19)7-6-10(3)17;/h8-10H,4-7,17H2,1-3H3,(H,18,19);1H
InChIKeyMHYNWPLXCACEEF-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.73
Rot. Bonds8

About 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride

4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride (PubChem CID 120561096) has the molecular formula C15H24BrClN2O3 and a molecular weight of 395.73 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride
PubChem CID120561096
Molecular FormulaC15H24BrClN2O3
Molecular Weight395.73 g/mol
Exact Mass394.07
IUPAC Name4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride
SMILESCCOc1cc(Br)c(NC(=O)CCC(C)N)cc1OCC.Cl
InChIInChI=1S/C15H23BrN2O3.ClH/c1-4-20-13-8-11(16)12(9-14(13)21-5-2)18-15(19)7-6-10(3)17;/h8-10H,4-7,17H2,1-3H3,(H,18,19);1H
InChIKeyMHYNWPLXCACEEF-UHFFFAOYSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 119745066
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
CID 81496462
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119745061
ethyl 4-acetamido-5-bromo-2-ethoxybenzoate
CID 162515859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride (CID 120561096) is 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride is CCOc1cc(Br)c(NC(=O)CCC(C)N)cc1OCC.Cl.
What is the InChIKey of 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride?
The InChIKey is MHYNWPLXCACEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3.ClH/c1-4-20-13-8-11(16)12(9-14(13)21-5-2)18-15(19)7-6-10(3)17;/h8-10H,4-7,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride?
4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride has a molecular weight of 395.73 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120561096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).