2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide

C16H17N3O3 — CID 9207698

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C16H17N3O3/c1-2-9-17-14(20)12-19-15(21)8-10-18(16(19)22)11-13-6-4-3-5-7-13/h2-8,10H,1,9,11-12H2,(H,17,20)
InChIKeyKZEPGVQWNZONMV-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.36
Rot. Bonds6

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 9207698) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID9207698
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C16H17N3O3/c1-2-9-17-14(20)12-19-15(21)8-10-18(16(19)22)11-13-6-4-3-5-7-13/h2-8,10H,1,9,11-12H2,(H,17,20)
InChIKeyKZEPGVQWNZONMV-UHFFFAOYSA-N
XLogP0.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 9207698) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is KZEPGVQWNZONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-9-17-14(20)12-19-15(21)8-10-18(16(19)22)11-13-6-4-3-5-7-13/h2-8,10H,1,9,11-12H2,(H,17,20).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 299.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 9207698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).