N-nonyl-2,4-dioxopyrimidine-1-carboxamide

C14H23N3O3 — CID 71655119

IUPACN-nonyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-10-15-13(19)17-11-9-12(18)16-14(17)20/h9,11H,2-8,10H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyRZUOIEMNIBAUSN-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.84
Rot. Bonds8

About N-nonyl-2,4-dioxopyrimidine-1-carboxamide

N-nonyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71655119) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-nonyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-nonyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71655119
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-nonyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-10-15-13(19)17-11-9-12(18)16-14(17)20/h9,11H,2-8,10H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyRZUOIEMNIBAUSN-UHFFFAOYSA-N
XLogP1.84
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-nonyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-nonyl-2,4-dioxopyrimidine-1-carboxamide (CID 71655119) is N-nonyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-nonyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-nonyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of N-nonyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is RZUOIEMNIBAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-10-15-13(19)17-11-9-12(18)16-14(17)20/h9,11H,2-8,10H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N-nonyl-2,4-dioxopyrimidine-1-carboxamide?
N-nonyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71655119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).