N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C26H26N8O2 — CID 159166665

IUPACN-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C26H26N8O2/c1-16-4-6-21(7-5-16)29-24-32-25(30-22-12-8-19(9-13-22)27-17(2)35)34-26(33-24)31-23-14-10-20(11-15-23)28-18(3)36/h4-15H,1-3H3,(H,27,35)(H,28,36)(H3,29,30,31,32,33,34)
InChIKeySVTHYERFIJMCSM-UHFFFAOYSA-N
MW482.55 g/mol
LogP5.33
Rot. Bonds8

About N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 159166665) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID159166665
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC NameN-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C26H26N8O2/c1-16-4-6-21(7-5-16)29-24-32-25(30-22-12-8-19(9-13-22)27-17(2)35)34-26(33-24)31-23-14-10-20(11-15-23)28-18(3)36/h4-15H,1-3H3,(H,27,35)(H,28,36)(H3,29,30,31,32,33,34)
InChIKeySVTHYERFIJMCSM-UHFFFAOYSA-N
XLogP5.33
TPSA132.96 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-(4-methylphenyl)acetamide
CID 7684
N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962206
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide
CID 143053420

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 159166665) is N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is SVTHYERFIJMCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-16-4-6-21(7-5-16)29-24-32-25(30-22-12-8-19(9-13-22)27-17(2)35)34-26(33-24)31-23-14-10-20(11-15-23)28-18(3)36/h4-15H,1-3H3,(H,27,35)(H,28,36)(H3,29,30,31,32,33,34).
What are the key properties of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 482.55 g/mol, XLogP of 5.33, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 159166665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).