N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide

C15H23N3O3 — CID 72549206

IUPACN-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCCC1CCCCC1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O3/c19-13-9-11-18(15(21)17-13)14(20)16-10-5-4-8-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,16,20)(H,17,19,21)
InChIKeyGAONYUJEYKKTOD-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds5

About N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide

N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 72549206) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID72549206
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCCC1CCCCC1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O3/c19-13-9-11-18(15(21)17-13)14(20)16-10-5-4-8-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,16,20)(H,17,19,21)
InChIKeyGAONYUJEYKKTOD-UHFFFAOYSA-N
XLogP1.84
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
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-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide (CID 72549206) is N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide is O=C(NCCCCC1CCCCC1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is GAONYUJEYKKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13-9-11-18(15(21)17-13)14(20)16-10-5-4-8-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,16,20)(H,17,19,21).
What are the key properties of N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide?
N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 72549206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).