2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide

C16H25BrN2O3 — CID 120828755

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCC(C)NC)cc1OCC
InChIInChI=1S/C16H25BrN2O3/c1-5-21-14-7-12(13(17)9-15(14)22-6-2)8-16(20)19-10-11(3)18-4/h7,9,11,18H,5-6,8,10H2,1-4H3,(H,19,20)
InChIKeyXJYGKVSUCUPFPG-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.51
Rot. Bonds9

About 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide (PubChem CID 120828755) has the molecular formula C16H25BrN2O3 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
PubChem CID120828755
Molecular FormulaC16H25BrN2O3
Molecular Weight373.29 g/mol
Exact Mass372.10
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCC(C)NC)cc1OCC
InChIInChI=1S/C16H25BrN2O3/c1-5-21-14-7-12(13(17)9-15(14)22-6-2)8-16(20)19-10-11(3)18-4/h7,9,11,18H,5-6,8,10H2,1-4H3,(H,19,20)
InChIKeyXJYGKVSUCUPFPG-UHFFFAOYSA-N
XLogP2.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828754
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 41276979
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 46598081
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]propanoic acid
CID 66534018
2-(2-bromo-4,5-diethoxyphenyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56543044
2-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 66533872
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide (CID 120828755) is 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide is CCOc1cc(Br)c(CC(=O)NCC(C)NC)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide?
The InChIKey is XJYGKVSUCUPFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O3/c1-5-21-14-7-12(13(17)9-15(14)22-6-2)8-16(20)19-10-11(3)18-4/h7,9,11,18H,5-6,8,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide has a molecular weight of 373.29 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 120828755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).