N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide

C14H24N4O3 — CID 45118798

IUPACN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide
SMILESCCCCCCCC(=O)Nc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-4-5-6-7-8-9-10(19)16-11-12(15)17(2)14(21)18(3)13(11)20/h4-9,15H2,1-3H3,(H,16,19)
InChIKeyZNDMWOZUZIMOJV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.97
Rot. Bonds7

About N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide (PubChem CID 45118798) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide
PubChem CID45118798
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide
SMILESCCCCCCCC(=O)Nc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-4-5-6-7-8-9-10(19)16-11-12(15)17(2)14(21)18(3)13(11)20/h4-9,15H2,1-3H3,(H,16,19)
InChIKeyZNDMWOZUZIMOJV-UHFFFAOYSA-N
XLogP0.97
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide?
The IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide (CID 45118798) is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide.
What is the SMILES notation for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide?
The canonical SMILES for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide is CCCCCCCC(=O)Nc1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide?
The InChIKey is ZNDMWOZUZIMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-5-6-7-8-9-10(19)16-11-12(15)17(2)14(21)18(3)13(11)20/h4-9,15H2,1-3H3,(H,16,19).
What are the key properties of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide?
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide has a molecular weight of 296.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide is sourced from PubChem (CID 45118798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).