N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide

C23H29N7O4 — CID 51038241

IUPACN-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C23H29N7O4/c1-17(31)24-11-13-33-15-16-34-14-12-25-21-28-22(26-18-5-3-2-4-6-18)30-23(29-21)27-19-7-9-20(32)10-8-19/h2-10,32H,11-16H2,1H3,(H,24,31)(H3,25,26,27,28,29,30)
InChIKeyIGQVRTLGDHJKPE-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.65
Rot. Bonds14

About N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 51038241) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide
PubChem CID51038241
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC NameN-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C23H29N7O4/c1-17(31)24-11-13-33-15-16-34-14-12-25-21-28-22(26-18-5-3-2-4-6-18)30-23(29-21)27-19-7-9-20(32)10-8-19/h2-10,32H,11-16H2,1H3,(H,24,31)(H3,25,26,27,28,29,30)
InChIKeyIGQVRTLGDHJKPE-UHFFFAOYSA-N
XLogP2.65
TPSA142.55 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide (CID 51038241) is N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCNc1nc(Nc2ccccc2)nc(Nc2ccc(O)cc2)n1.
What is the InChIKey of N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is IGQVRTLGDHJKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-17(31)24-11-13-33-15-16-34-14-12-25-21-28-22(26-18-5-3-2-4-6-18)30-23(29-21)27-19-7-9-20(32)10-8-19/h2-10,32H,11-16H2,1H3,(H,24,31)(H3,25,26,27,28,29,30).
What are the key properties of N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 467.53 g/mol, XLogP of 2.65, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[[4-anilino-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 51038241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).