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

C13H20BrN3O2 — CID 61037179

IUPAC2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(C(NCCN(C)C)C(N)=O)cc1Br
InChIInChI=1S/C13H20BrN3O2/c1-17(2)7-6-16-12(13(15)18)9-4-5-11(19-3)10(14)8-9/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyJTUTVFVLMQIECD-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.14
Rot. Bonds7

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

2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 61037179) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID61037179
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(C(NCCN(C)C)C(N)=O)cc1Br
InChIInChI=1S/C13H20BrN3O2/c1-17(2)7-6-16-12(13(15)18)9-4-5-11(19-3)10(14)8-9/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyJTUTVFVLMQIECD-UHFFFAOYSA-N
XLogP1.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996196
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
methyl 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propanoate
CID 116910189

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 61037179) is 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is COc1ccc(C(NCCN(C)C)C(N)=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is JTUTVFVLMQIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-17(2)7-6-16-12(13(15)18)9-4-5-11(19-3)10(14)8-9/h4-5,8,12,16H,6-7H2,1-3H3,(H2,15,18).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 330.23 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 61037179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).