N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide

C24H39N3O3 — CID 142489171

IUPACN-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCC#Cc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C24H39N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(28)25-19-16-17-21-20-27(2)24(30)26-23(21)29/h20H,3-15,18-19H2,1-2H3,(H,25,28)(H,26,29,30)
InChIKeyIAAOKIPVTOGJHZ-UHFFFAOYSA-N
MW417.59 g/mol
LogP4.02
Rot. Bonds15

About N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide

N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide (PubChem CID 142489171) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide.

Molecular Properties

Compound NameN-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide
PubChem CID142489171
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC NameN-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCC#Cc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C24H39N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(28)25-19-16-17-21-20-27(2)24(30)26-23(21)29/h20H,3-15,18-19H2,1-2H3,(H,25,28)(H,26,29,30)
InChIKeyIAAOKIPVTOGJHZ-UHFFFAOYSA-N
XLogP4.02
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide 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

ethane;2-hydroxy-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]acetamide
CID 164912261
ethane;2-methyl-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]propanamide
CID 166551975
ethane;2-methyl-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]propanamide
CID 163281705
N-[3-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-4-methylpentanamide
CID 168810176
[(1R,3R,7S)-3-[5-[3-(dodecanoylamino)prop-1-ynyl]-2,4-dioxopyrimidin-1-yl]-1-(methoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphinate
CID 140600125
5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione
CID 67951281
N-(3-iodoprop-2-ynyl)octanamide
CID 71381929
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
CID 90548082
3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
CID 11277154
[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-[5-[3-[[8-(methylamino)-8-oxooctanoyl]amino]prop-1-ynyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 140673924

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide?
The IUPAC name of N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide (CID 142489171) is N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide.
What is the SMILES notation for N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide?
The canonical SMILES for N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCC#Cc1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide?
The InChIKey is IAAOKIPVTOGJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(28)25-19-16-17-21-20-27(2)24(30)26-23(21)29/h20H,3-15,18-19H2,1-2H3,(H,25,28)(H,26,29,30).
What are the key properties of N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide?
N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide has a molecular weight of 417.59 g/mol, XLogP of 4.02, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]hexadecanamide is sourced from PubChem (CID 142489171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).