2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide

C24H19N3O2 — CID 55834993

IUPAC2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)27-20-12-14-21(15-13-20)29-24-25-16-7-17-26-24/h1-17,22H,(H,27,28)
InChIKeyLMOSQEDMFVUXNL-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.04
Rot. Bonds6

About 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide

2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 55834993) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID55834993
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)27-20-12-14-21(15-13-20)29-24-25-16-7-17-26-24/h1-17,22H,(H,27,28)
InChIKeyLMOSQEDMFVUXNL-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide (CID 55834993) is 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide is O=C(Nc1ccc(Oc2ncccn2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is LMOSQEDMFVUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)27-20-12-14-21(15-13-20)29-24-25-16-7-17-26-24/h1-17,22H,(H,27,28).
What are the key properties of 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 55834993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).