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

C21H21N3O3 — CID 91887491

IUPACN-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)cc1=O
InChIInChI=1S/C21H21N3O3/c1-3-27-18-12-8-7-11-17(18)23-19(25)14-24-20(26)13-15(2)22-21(24)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyOBGZZHPWBJQIRZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.26
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (PubChem CID 91887491) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
PubChem CID91887491
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)cc1=O
InChIInChI=1S/C21H21N3O3/c1-3-27-18-12-8-7-11-17(18)23-19(25)14-24-20(26)13-15(2)22-21(24)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyOBGZZHPWBJQIRZ-UHFFFAOYSA-N
XLogP3.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide 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-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide (CID 91887491) is N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is CCOc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)cc1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The InChIKey is OBGZZHPWBJQIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-27-18-12-8-7-11-17(18)23-19(25)14-24-20(26)13-15(2)22-21(24)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide?
N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 91887491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).