N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide

C16H25BrN2O3 — CID 119626386

IUPACN-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCC(C)(C)N)cc1OCC
InChIInChI=1S/C16H25BrN2O3/c1-5-21-13-7-11(12(17)9-14(13)22-6-2)8-15(20)19-10-16(3,4)18/h7,9H,5-6,8,10,18H2,1-4H3,(H,19,20)
InChIKeyQDCIVQWDNUELNJ-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.64
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide

N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (PubChem CID 119626386) has the molecular formula C16H25BrN2O3 and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
PubChem CID119626386
Molecular FormulaC16H25BrN2O3
Molecular Weight373.29 g/mol
Exact Mass372.10
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCC(C)(C)N)cc1OCC
InChIInChI=1S/C16H25BrN2O3/c1-5-21-13-7-11(12(17)9-14(13)22-6-2)8-15(20)19-10-16(3,4)18/h7,9H,5-6,8,10,18H2,1-4H3,(H,19,20)
InChIKeyQDCIVQWDNUELNJ-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 41276979
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120828755
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828754
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
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16563035
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
CID 27667129
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119601169
2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]-N-tert-butylacetamide
CID 66529249

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (CID 119626386) is N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is CCOc1cc(Br)c(CC(=O)NCC(C)(C)N)cc1OCC.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The InChIKey is QDCIVQWDNUELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O3/c1-5-21-13-7-11(12(17)9-14(13)22-6-2)8-15(20)19-10-16(3,4)18/h7,9H,5-6,8,10,18H2,1-4H3,(H,19,20).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide has a molecular weight of 373.29 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 119626386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).