N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

C20H19N3O3 — CID 91887487

IUPACN-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C20H19N3O3/c1-14-11-19(25)23(20(21-14)15-7-4-3-5-8-15)13-18(24)22-16-9-6-10-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyATYOHRCQCAOVAS-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.87
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (PubChem CID 91887487) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
PubChem CID91887487
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C20H19N3O3/c1-14-11-19(25)23(20(21-14)15-7-4-3-5-8-15)13-18(24)22-16-9-6-10-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyATYOHRCQCAOVAS-UHFFFAOYSA-N
XLogP2.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (CID 91887487) is N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is COc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The InChIKey is ATYOHRCQCAOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-11-19(25)23(20(21-14)15-7-4-3-5-8-15)13-18(24)22-16-9-6-10-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 91887487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).