2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide

C18H27BrN2O4 — CID 41276979

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C18H27BrN2O4/c1-6-24-14-8-12(13(19)10-15(14)25-7-2)9-16(22)20-11-17(23)21-18(3,4)5/h8,10H,6-7,9,11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyNCVVXPKMGHWVKF-UHFFFAOYSA-N
MW415.33 g/mol
LogP2.82
Rot. Bonds8

About 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide (PubChem CID 41276979) has the molecular formula C18H27BrN2O4 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
PubChem CID41276979
Molecular FormulaC18H27BrN2O4
Molecular Weight415.33 g/mol
Exact Mass414.12
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
SMILESCCOc1cc(Br)c(CC(=O)NCC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C18H27BrN2O4/c1-6-24-14-8-12(13(19)10-15(14)25-7-2)9-16(22)20-11-17(23)21-18(3,4)5/h8,10H,6-7,9,11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyNCVVXPKMGHWVKF-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]-N-tert-butylacetamide
CID 66529249
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120828755
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
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-(2-phenoxyethyl)acetamide
CID 32933896
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584
2-(2-bromo-4,5-diethoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 55798813
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
2-[5-bromo-2-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66532878

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide (CID 41276979) is 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide is CCOc1cc(Br)c(CC(=O)NCC(=O)NC(C)(C)C)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
The InChIKey is NCVVXPKMGHWVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O4/c1-6-24-14-8-12(13(19)10-15(14)25-7-2)9-16(22)20-11-17(23)21-18(3,4)5/h8,10H,6-7,9,11H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide has a molecular weight of 415.33 g/mol, XLogP of 2.82, 8 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-(tert-butylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 41276979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).