4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide

C26H23N3O4 — CID 53116698

IUPAC4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)cn2)cc1
InChIInChI=1S/C26H23N3O4/c1-31-22-10-12-23(13-11-22)33-26-28-16-21(17-29-26)19-6-8-20(9-7-19)25(30)27-15-18-4-3-5-24(14-18)32-2/h3-14,16-17H,15H2,1-2H3,(H,27,30)
InChIKeyNUUGKBMRPQSUOR-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.88
Rot. Bonds8

About 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 53116698) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID53116698
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)cn2)cc1
InChIInChI=1S/C26H23N3O4/c1-31-22-10-12-23(13-11-22)33-26-28-16-21(17-29-26)19-6-8-20(9-7-19)25(30)27-15-18-4-3-5-24(14-18)32-2/h3-14,16-17H,15H2,1-2H3,(H,27,30)
InChIKeyNUUGKBMRPQSUOR-UHFFFAOYSA-N
XLogP4.88
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
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-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
CID 53116686
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-(3-ethoxypropyl)-4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116703
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 53116698) is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)cn2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is NUUGKBMRPQSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-31-22-10-12-23(13-11-22)33-26-28-16-21(17-29-26)19-6-8-20(9-7-19)25(30)27-15-18-4-3-5-24(14-18)32-2/h3-14,16-17H,15H2,1-2H3,(H,27,30).
What are the key properties of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53116698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).