N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide

C23H23N5O5 — CID 24983225

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)COc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H23N5O5/c1-32-12-11-27(19(29)15-33-18-10-6-5-9-17(18)13-24)20-21(25)28(23(31)26-22(20)30)14-16-7-3-2-4-8-16/h2-10H,11-12,14-15,25H2,1H3,(H,26,30,31)
InChIKeyGTDOTQBVJNWAFV-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.10
Rot. Bonds9

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 24983225) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID24983225
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)COc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H23N5O5/c1-32-12-11-27(19(29)15-33-18-10-6-5-9-17(18)13-24)20-21(25)28(23(31)26-22(20)30)14-16-7-3-2-4-8-16/h2-10H,11-12,14-15,25H2,1H3,(H,26,30,31)
InChIKeyGTDOTQBVJNWAFV-UHFFFAOYSA-N
XLogP1.10
TPSA143.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide (CID 24983225) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)COc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is GTDOTQBVJNWAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c1-32-12-11-27(19(29)15-33-18-10-6-5-9-17(18)13-24)20-21(25)28(23(31)26-22(20)30)14-16-7-3-2-4-8-16/h2-10H,11-12,14-15,25H2,1H3,(H,26,30,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 449.47 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-cyanophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 24983225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).