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

C26H23N3O4 — CID 46386633

IUPAC3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3nccc(Oc4cccc(OC)c4)n3)c2)cc1
InChIInChI=1S/C26H23N3O4/c1-31-21-11-9-18(10-12-21)17-28-26(30)20-6-3-5-19(15-20)25-27-14-13-24(29-25)33-23-8-4-7-22(16-23)32-2/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyDNHQHARBJLROHP-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.88
Rot. Bonds8

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

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 46386633) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID46386633
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3nccc(Oc4cccc(OC)c4)n3)c2)cc1
InChIInChI=1S/C26H23N3O4/c1-31-21-11-9-18(10-12-21)17-28-26(30)20-6-3-5-19(15-20)25-27-14-13-24(29-25)33-23-8-4-7-22(16-23)32-2/h3-16H,17H2,1-2H3,(H,28,30)
InChIKeyDNHQHARBJLROHP-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

N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 46386633) is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cccc(-c3nccc(Oc4cccc(OC)c4)n3)c2)cc1.
What is the InChIKey of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is DNHQHARBJLROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-31-21-11-9-18(10-12-21)17-28-26(30)20-6-3-5-19(15-20)25-27-14-13-24(29-25)33-23-8-4-7-22(16-23)32-2/h3-16H,17H2,1-2H3,(H,28,30).
What are the key properties of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-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 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46386633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).