N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide

C22H24N4O5 — CID 17429919

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide
SMILESCCOc1ccc(OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O5/c1-3-30-16-9-11-17(12-10-16)31-14-18(27)25(2)19-20(23)26(22(29)24-21(19)28)13-15-7-5-4-6-8-15/h4-12H,3,13-14,23H2,1-2H3,(H,24,28,29)
InChIKeyFNGDJVVOSJLUIN-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.61
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide (PubChem CID 17429919) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide
PubChem CID17429919
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide
SMILESCCOc1ccc(OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O5/c1-3-30-16-9-11-17(12-10-16)31-14-18(27)25(2)19-20(23)26(22(29)24-21(19)28)13-15-7-5-4-6-8-15/h4-12H,3,13-14,23H2,1-2H3,(H,24,28,29)
InChIKeyFNGDJVVOSJLUIN-UHFFFAOYSA-N
XLogP1.61
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide 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-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide (CID 17429919) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide is CCOc1ccc(OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide?
The InChIKey is FNGDJVVOSJLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-3-30-16-9-11-17(12-10-16)31-14-18(27)25(2)19-20(23)26(22(29)24-21(19)28)13-15-7-5-4-6-8-15/h4-12H,3,13-14,23H2,1-2H3,(H,24,28,29).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide has a molecular weight of 424.46 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 17429919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).