2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide

C21H28N4O6 — CID 18281639

IUPAC2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N4O6/c1-4-5-10-25-19(22)18(20(28)23-21(25)29)24(11-12-30-3)17(27)13-31-16-8-6-15(7-9-16)14(2)26/h6-9H,4-5,10-13,22H2,1-3H3,(H,23,28,29)
InChIKeyPWIJDJQTOZQGOV-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.18
Rot. Bonds11

About 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide

2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 18281639) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
PubChem CID18281639
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Name2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N4O6/c1-4-5-10-25-19(22)18(20(28)23-21(25)29)24(11-12-30-3)17(27)13-31-16-8-6-15(7-9-16)14(2)26/h6-9H,4-5,10-13,22H2,1-3H3,(H,23,28,29)
InChIKeyPWIJDJQTOZQGOV-UHFFFAOYSA-N
XLogP1.18
TPSA136.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)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 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide (CID 18281639) is 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is PWIJDJQTOZQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-4-5-10-25-19(22)18(20(28)23-21(25)29)24(11-12-30-3)17(27)13-31-16-8-6-15(7-9-16)14(2)26/h6-9H,4-5,10-13,22H2,1-3H3,(H,23,28,29).
What are the key properties of 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide?
2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 1.18, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 18281639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).