2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C13H20BrN3O3 — CID 60996196

IUPAC2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1cc(C(NCCN(C)C)C(N)=O)cc(Br)c1O
InChIInChI=1S/C13H20BrN3O3/c1-17(2)5-4-16-11(13(15)19)8-6-9(14)12(18)10(7-8)20-3/h6-7,11,16,18H,4-5H2,1-3H3,(H2,15,19)
InChIKeyALBOGWNORLYNRD-UHFFFAOYSA-N
MW346.23 g/mol
LogP0.84
Rot. Bonds7

About 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 60996196) has the molecular formula C13H20BrN3O3 and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID60996196
Molecular FormulaC13H20BrN3O3
Molecular Weight346.23 g/mol
Exact Mass345.07
IUPAC Name2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1cc(C(NCCN(C)C)C(N)=O)cc(Br)c1O
InChIInChI=1S/C13H20BrN3O3/c1-17(2)5-4-16-11(13(15)19)8-6-9(14)12(18)10(7-8)20-3/h6-7,11,16,18H,4-5H2,1-3H3,(H2,15,19)
InChIKeyALBOGWNORLYNRD-UHFFFAOYSA-N
XLogP0.84
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-[2-(dimethylamino)ethylamino]-2-(4-hydroxy-3,5-dimethylphenyl)acetamide
CID 60996341
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
CID 63076271
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684905
2-(5-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61346233
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
2-(3-cyanophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 54892385

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 60996196) is 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is COc1cc(C(NCCN(C)C)C(N)=O)cc(Br)c1O.
What is the InChIKey of 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is ALBOGWNORLYNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3/c1-17(2)5-4-16-11(13(15)19)8-6-9(14)12(18)10(7-8)20-3/h6-7,11,16,18H,4-5H2,1-3H3,(H2,15,19).
What are the key properties of 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 346.23 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 60996196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).