N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C15H17N3O4 — CID 45280792

IUPACN-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-10-8-18(15(21)17-14(10)20)9-13(19)16-7-11-3-5-12(22-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyHUECBEBLYWIMFD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.17
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 45280792) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID45280792
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O4/c1-10-8-18(15(21)17-14(10)20)9-13(19)16-7-11-3-5-12(22-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyHUECBEBLYWIMFD-UHFFFAOYSA-N
XLogP0.17
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 45280792) is N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is COc1ccc(CNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is HUECBEBLYWIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-8-18(15(21)17-14(10)20)9-13(19)16-7-11-3-5-12(22-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45280792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).