2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide

C19H17N3O4 — CID 24514679

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)cc1
InChIInChI=1S/C19H17N3O4/c1-13-2-6-15(7-3-13)26-16-8-4-14(5-9-16)20-18(24)12-22-11-10-17(23)21-19(22)25/h2-11H,12H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyFPOSMPBLINAWBJ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide (PubChem CID 24514679) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
PubChem CID24514679
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)cc1
InChIInChI=1S/C19H17N3O4/c1-13-2-6-15(7-3-13)26-16-8-4-14(5-9-16)20-18(24)12-22-11-10-17(23)21-19(22)25/h2-11H,12H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyFPOSMPBLINAWBJ-UHFFFAOYSA-N
XLogP2.28
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide (CID 24514679) is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide is Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)cc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is FPOSMPBLINAWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13-2-6-15(7-3-13)26-16-8-4-14(5-9-16)20-18(24)12-22-11-10-17(23)21-19(22)25/h2-11H,12H2,1H3,(H,20,24)(H,21,23,25).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 351.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 24514679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).