4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide

C26H23N3O3 — CID 53116686

IUPAC4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCCc4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C26H23N3O3/c1-31-23-11-13-24(14-12-23)32-26-28-17-22(18-29-26)20-7-9-21(10-8-20)25(30)27-16-15-19-5-3-2-4-6-19/h2-14,17-18H,15-16H2,1H3,(H,27,30)
InChIKeyBAVUJZCRWSFKKG-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.92
Rot. Bonds8

About 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide (PubChem CID 53116686) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
PubChem CID53116686
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCCc4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C26H23N3O3/c1-31-23-11-13-24(14-12-23)32-26-28-17-22(18-29-26)20-7-9-21(10-8-20)25(30)27-16-15-19-5-3-2-4-6-19/h2-14,17-18H,15-16H2,1H3,(H,27,30)
InChIKeyBAVUJZCRWSFKKG-UHFFFAOYSA-N
XLogP4.92
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
6-(2-methoxypyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 172656290
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide (CID 53116686) is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide is COc1ccc(Oc2ncc(-c3ccc(C(=O)NCCc4ccccc4)cc3)cn2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is BAVUJZCRWSFKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-23-11-13-24(14-12-23)32-26-28-17-22(18-29-26)20-7-9-21(10-8-20)25(30)27-16-15-19-5-3-2-4-6-19/h2-14,17-18H,15-16H2,1H3,(H,27,30).
What are the key properties of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide?
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 53116686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).