N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide

C17H30N4O2 — CID 175014622

IUPACN-(1,6-diethyl-4-oxotriazin-5-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1c(CC)n(CC)nnc1=O
InChIInChI=1S/C17H30N4O2/c1-4-7-8-9-10-11-12-13-15(22)18-16-14(5-2)21(6-3)20-19-17(16)23/h4-13H2,1-3H3,(H,18,22)
InChIKeyDSMWWIVWRAYBMS-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.30
Rot. Bonds11

About N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide

N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide (PubChem CID 175014622) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide.

Molecular Properties

Compound NameN-(1,6-diethyl-4-oxotriazin-5-yl)decanamide
PubChem CID175014622
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-(1,6-diethyl-4-oxotriazin-5-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1c(CC)n(CC)nnc1=O
InChIInChI=1S/C17H30N4O2/c1-4-7-8-9-10-11-12-13-15(22)18-16-14(5-2)21(6-3)20-19-17(16)23/h4-13H2,1-3H3,(H,18,22)
InChIKeyDSMWWIVWRAYBMS-UHFFFAOYSA-N
XLogP3.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide 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-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
CID 141284674
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide
CID 45118798
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide?
The IUPAC name of N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide (CID 175014622) is N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide.
What is the SMILES notation for N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide?
The canonical SMILES for N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide is CCCCCCCCCC(=O)Nc1c(CC)n(CC)nnc1=O.
What is the InChIKey of N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide?
The InChIKey is DSMWWIVWRAYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-7-8-9-10-11-12-13-15(22)18-16-14(5-2)21(6-3)20-19-17(16)23/h4-13H2,1-3H3,(H,18,22).
What are the key properties of N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide?
N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide has a molecular weight of 322.45 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-diethyl-4-oxotriazin-5-yl)decanamide is sourced from PubChem (CID 175014622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).