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

C15H24BrN3O2 — CID 61036831

IUPAC2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
SMILESCCN(CC)CCNC(C(N)=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H24BrN3O2/c1-4-19(5-2)9-8-18-14(15(17)20)11-6-7-13(21-3)12(16)10-11/h6-7,10,14,18H,4-5,8-9H2,1-3H3,(H2,17,20)
InChIKeyRHFJFHVUYFIQKB-UHFFFAOYSA-N
MW358.28 g/mol
LogP1.92
Rot. Bonds9

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

2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide (PubChem CID 61036831) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
PubChem CID61036831
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
SMILESCCN(CC)CCNC(C(N)=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H24BrN3O2/c1-4-19(5-2)9-8-18-14(15(17)20)11-6-7-13(21-3)12(16)10-11/h6-7,10,14,18H,4-5,8-9H2,1-3H3,(H2,17,20)
InChIKeyRHFJFHVUYFIQKB-UHFFFAOYSA-N
XLogP1.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65383976
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996196
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
CID 102840263
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
1-(3-bromo-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005152
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide (CID 61036831) is 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide is CCN(CC)CCNC(C(N)=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide?
The InChIKey is RHFJFHVUYFIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-4-19(5-2)9-8-18-14(15(17)20)11-6-7-13(21-3)12(16)10-11/h6-7,10,14,18H,4-5,8-9H2,1-3H3,(H2,17,20).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide?
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide has a molecular weight of 358.28 g/mol, XLogP of 1.92, 9 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-(diethylamino)ethylamino]acetamide is sourced from PubChem (CID 61036831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).