N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide

C16H19N3O4 — CID 2148510

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C16H19N3O4/c1-4-23-12-7-5-11(6-8-12)9-14(20)17-13-10-15(21)19(3)16(22)18(13)2/h5-8,10H,4,9H2,1-3H3,(H,17,20)
InChIKeyILNZZALJVKFJJQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.66
Rot. Bonds5

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 2148510) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID2148510
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C16H19N3O4/c1-4-23-12-7-5-11(6-8-12)9-14(20)17-13-10-15(21)19(3)16(22)18(13)2/h5-8,10H,4,9H2,1-3H3,(H,17,20)
InChIKeyILNZZALJVKFJJQ-UHFFFAOYSA-N
XLogP0.66
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide (CID 2148510) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is ILNZZALJVKFJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-23-12-7-5-11(6-8-12)9-14(20)17-13-10-15(21)19(3)16(22)18(13)2/h5-8,10H,4,9H2,1-3H3,(H,17,20).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2148510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).