2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide

C23H25N3O4 — CID 2960289

IUPAC2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C23H25N3O4/c1-15-21(16(2)27)22(26-23(29)25-15)18-10-6-7-11-19(18)30-14-20(28)24-13-12-17-8-4-3-5-9-17/h3-11,22H,12-14H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyRXGPWOXPENKTFO-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide

2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 2960289) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide
PubChem CID2960289
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C23H25N3O4/c1-15-21(16(2)27)22(26-23(29)25-15)18-10-6-7-11-19(18)30-14-20(28)24-13-12-17-8-4-3-5-9-17/h3-11,22H,12-14H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyRXGPWOXPENKTFO-UHFFFAOYSA-N
XLogP2.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)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 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide (CID 2960289) is 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide is CC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is RXGPWOXPENKTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-21(16(2)27)22(26-23(29)25-15)18-10-6-7-11-19(18)30-14-20(28)24-13-12-17-8-4-3-5-9-17/h3-11,22H,12-14H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide?
2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2960289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).