N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

C16H24N4O4 — CID 78815070

IUPACN-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCCCC)c1=O
InChIInChI=1S/C16H24N4O4/c1-4-7-8-9-17-13(21)12-20-15(23)18(10-5-2)14(22)19(11-6-3)16(20)24/h5-6H,2-4,7-12H2,1H3,(H,17,21)
InChIKeyZIRDDILXTKBNRE-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.15
Rot. Bonds10

About N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (PubChem CID 78815070) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
PubChem CID78815070
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCCCC)c1=O
InChIInChI=1S/C16H24N4O4/c1-4-7-8-9-17-13(21)12-20-15(23)18(10-5-2)14(22)19(11-6-3)16(20)24/h5-6H,2-4,7-12H2,1H3,(H,17,21)
InChIKeyZIRDDILXTKBNRE-UHFFFAOYSA-N
XLogP-0.15
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
1-methyl-3-nonyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 90337163
N-[(4-fluorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7887005
N-[(4-chlorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7886969
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N-(2-tert-butylphenyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 32828438
CID 153322092
CID 153322092
N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 141463438
N-hexadecylhexanamide
CID 4953738
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The IUPAC name of N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (CID 78815070) is N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide.
What is the SMILES notation for N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The canonical SMILES for N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide is C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCCCC)c1=O.
What is the InChIKey of N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The InChIKey is ZIRDDILXTKBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-4-7-8-9-17-13(21)12-20-15(23)18(10-5-2)14(22)19(11-6-3)16(20)24/h5-6H,2-4,7-12H2,1H3,(H,17,21).
What are the key properties of N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide has a molecular weight of 336.39 g/mol, XLogP of -0.15, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide is sourced from PubChem (CID 78815070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).