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2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide

C28H27N3O4 — CID 121063810

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(OCc4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C28H27N3O4/c1-2-34-24-14-10-23(11-15-24)26-16-28(33)31(20-30-26)18-27(32)29-17-21-8-12-25(13-9-21)35-19-22-6-4-3-5-7-22/h3-16,20H,2,17-19H2,1H3,(H,29,32)
InChIKeyXTMGFDTYFMGUJK-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.20
Rot. Bonds10

About 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 121063810) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID121063810
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(OCc4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C28H27N3O4/c1-2-34-24-14-10-23(11-15-24)26-16-28(33)31(20-30-26)18-27(32)29-17-21-8-12-25(13-9-21)35-19-22-6-4-3-5-7-22/h3-16,20H,2,17-19H2,1H3,(H,29,32)
InChIKeyXTMGFDTYFMGUJK-UHFFFAOYSA-N
XLogP4.20
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide (CID 121063810) is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide is CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(OCc4ccccc4)cc3)cn2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is XTMGFDTYFMGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-2-34-24-14-10-23(11-15-24)26-16-28(33)31(20-30-26)18-27(32)29-17-21-8-12-25(13-9-21)35-19-22-6-4-3-5-7-22/h3-16,20H,2,17-19H2,1H3,(H,29,32).
What are the key properties of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 121063810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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