3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide

C26H23N3O2 — CID 46388743

IUPAC3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
SMILESCc1cccc(-c2nccc(Oc3cccc(C(=O)NCCc4ccccc4)c3)n2)c1
InChIInChI=1S/C26H23N3O2/c1-19-7-5-10-21(17-19)25-27-16-14-24(29-25)31-23-12-6-11-22(18-23)26(30)28-15-13-20-8-3-2-4-9-20/h2-12,14,16-18H,13,15H2,1H3,(H,28,30)
InChIKeyITNMBCSLPRYLJD-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.22
Rot. Bonds7

About 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide

3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide (PubChem CID 46388743) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
PubChem CID46388743
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
SMILESCc1cccc(-c2nccc(Oc3cccc(C(=O)NCCc4ccccc4)c3)n2)c1
InChIInChI=1S/C26H23N3O2/c1-19-7-5-10-21(17-19)25-27-16-14-24(29-25)31-23-12-6-11-22(18-23)26(30)28-15-13-20-8-3-2-4-9-20/h2-12,14,16-18H,13,15H2,1H3,(H,28,30)
InChIKeyITNMBCSLPRYLJD-UHFFFAOYSA-N
XLogP5.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
CID 46388852
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-ethoxy-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 86967702
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 46388753

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide (CID 46388743) is 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide is Cc1cccc(-c2nccc(Oc3cccc(C(=O)NCCc4ccccc4)c3)n2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
The InChIKey is ITNMBCSLPRYLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19-7-5-10-21(17-19)25-27-16-14-24(29-25)31-23-12-6-11-22(18-23)26(30)28-15-13-20-8-3-2-4-9-20/h2-12,14,16-18H,13,15H2,1H3,(H,28,30).
What are the key properties of 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 46388743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).