N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide

C21H36N6O3 — CID 14619504

IUPACN-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(NC(=O)CCCCC)nc(NC(=O)CCCCC)n1
InChIInChI=1S/C21H36N6O3/c1-4-7-10-13-16(28)22-19-25-20(23-17(29)14-11-8-5-2)27-21(26-19)24-18(30)15-12-9-6-3/h4-15H2,1-3H3,(H3,22,23,24,25,26,27,28,29,30)
InChIKeyGSYQATQSYSLKRE-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.43
Rot. Bonds15

About N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide

N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide (PubChem CID 14619504) has the molecular formula C21H36N6O3 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide.

Molecular Properties

Compound NameN-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
PubChem CID14619504
Molecular FormulaC21H36N6O3
Molecular Weight420.56 g/mol
Exact Mass420.28
IUPAC NameN-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(NC(=O)CCCCC)nc(NC(=O)CCCCC)n1
InChIInChI=1S/C21H36N6O3/c1-4-7-10-13-16(28)22-19-25-20(23-17(29)14-11-8-5-2)27-21(26-19)24-18(30)15-12-9-6-3/h4-15H2,1-3H3,(H3,22,23,24,25,26,27,28,29,30)
InChIKeyGSYQATQSYSLKRE-UHFFFAOYSA-N
XLogP4.43
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-pyrimidin-2-ylundecanamide
CID 4180610
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[4-[4-[[4-[[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]-hexanoylamino]phenyl]diazenyl]-N-hexanoylanilino]-6-(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 165365346
N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide
CID 54375083
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]octanamide
CID 78805803
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide?
The IUPAC name of N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide (CID 14619504) is N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide.
What is the SMILES notation for N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide?
The canonical SMILES for N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide is CCCCCC(=O)Nc1nc(NC(=O)CCCCC)nc(NC(=O)CCCCC)n1.
What is the InChIKey of N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide?
The InChIKey is GSYQATQSYSLKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O3/c1-4-7-10-13-16(28)22-19-25-20(23-17(29)14-11-8-5-2)27-21(26-19)24-18(30)15-12-9-6-3/h4-15H2,1-3H3,(H3,22,23,24,25,26,27,28,29,30).
What are the key properties of N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide?
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide has a molecular weight of 420.56 g/mol, XLogP of 4.43, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide is sourced from PubChem (CID 14619504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).