(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide

C15H23N3O3 — CID 46538699

IUPAC(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N3O3/c1-4-5-6-7-10-16-13(19)9-8-12-11-17(2)15(21)18(3)14(12)20/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)/b9-8+
InChIKeyVLFOGMHANAIJGS-CMDGGOBGSA-N
MW293.37 g/mol
LogP0.79
Rot. Bonds7

About (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide (PubChem CID 46538699) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide
PubChem CID46538699
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N3O3/c1-4-5-6-7-10-16-13(19)9-8-12-11-17(2)15(21)18(3)14(12)20/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)/b9-8+
InChIKeyVLFOGMHANAIJGS-CMDGGOBGSA-N
XLogP0.79
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide?
The IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide (CID 46538699) is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide is CCCCCCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide?
The InChIKey is VLFOGMHANAIJGS-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-5-6-7-10-16-13(19)9-8-12-11-17(2)15(21)18(3)14(12)20/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)/b9-8+.
What are the key properties of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide?
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-hexylprop-2-enamide is sourced from PubChem (CID 46538699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).