4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide

C24H19N5O5 — CID 162501088

IUPAC4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCc1ccc(Oc2nc(Oc3ccc(C(N)=O)cc3)nc(Oc3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C24H19N5O5/c1-14-2-8-17(9-3-14)32-22-27-23(33-18-10-4-15(5-11-18)20(25)30)29-24(28-22)34-19-12-6-16(7-13-19)21(26)31/h2-13H,1H3,(H2,25,30)(H2,26,31)
InChIKeyPVZBNYGEAKYMMO-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.75
Rot. Bonds8

About 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide

4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide (PubChem CID 162501088) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide.

Molecular Properties

Compound Name4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
PubChem CID162501088
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC Name4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCc1ccc(Oc2nc(Oc3ccc(C(N)=O)cc3)nc(Oc3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C24H19N5O5/c1-14-2-8-17(9-3-14)32-22-27-23(33-18-10-4-15(5-11-18)20(25)30)29-24(28-22)34-19-12-6-16(7-13-19)21(26)31/h2-13H,1H3,(H2,25,30)(H2,26,31)
InChIKeyPVZBNYGEAKYMMO-UHFFFAOYSA-N
XLogP3.75
TPSA152.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 80881678
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 169281032
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 62869638
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
4,6-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]-N,N-bis(4-methylphenyl)-1,3,5-triazin-2-amine
CID 59533037
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-(4-hydroxyphenoxy)benzamide
CID 60869896
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide?
The IUPAC name of 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide (CID 162501088) is 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide.
What is the SMILES notation for 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide?
The canonical SMILES for 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide is Cc1ccc(Oc2nc(Oc3ccc(C(N)=O)cc3)nc(Oc3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide?
The InChIKey is PVZBNYGEAKYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5/c1-14-2-8-17(9-3-14)32-22-27-23(33-18-10-4-15(5-11-18)20(25)30)29-24(28-22)34-19-12-6-16(7-13-19)21(26)31/h2-13H,1H3,(H2,25,30)(H2,26,31).
What are the key properties of 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide?
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide has a molecular weight of 457.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide is sourced from PubChem (CID 162501088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).