2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

C16H18BrN3O4 — CID 41438789

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H18BrN3O4/c1-11-3-5-12(6-4-11)24-8-7-19(2)14(21)10-20-9-13(17)15(22)18-16(20)23/h3-6,9H,7-8,10H2,1-2H3,(H,18,22,23)
InChIKeyYHHAIWBTMUESGF-UHFFFAOYSA-N
MW396.24 g/mol
LogP1.14
Rot. Bonds6

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 41438789) has the molecular formula C16H18BrN3O4 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID41438789
Molecular FormulaC16H18BrN3O4
Molecular Weight396.24 g/mol
Exact Mass395.05
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H18BrN3O4/c1-11-3-5-12(6-4-11)24-8-7-19(2)14(21)10-20-9-13(17)15(22)18-16(20)23/h3-6,9H,7-8,10H2,1-2H3,(H,18,22,23)
InChIKeyYHHAIWBTMUESGF-UHFFFAOYSA-N
XLogP1.14
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 47012630
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41439109
N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546255
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 77085118
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27447917
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 71896754
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 31285281
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24632369
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786204

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 41438789) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is YHHAIWBTMUESGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O4/c1-11-3-5-12(6-4-11)24-8-7-19(2)14(21)10-20-9-13(17)15(22)18-16(20)23/h3-6,9H,7-8,10H2,1-2H3,(H,18,22,23).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 396.24 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 41438789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).