N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide

C19H23N3O3 — CID 46985669

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)NCCn2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-13(2)12-25-17-7-5-16(6-8-17)18(23)20-9-10-22-15(4)11-14(3)21-19(22)24/h5-8,11H,1,9-10,12H2,2-4H3,(H,20,23)
InChIKeyVBXBIOJSXSKQFV-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide (PubChem CID 46985669) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide
PubChem CID46985669
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)NCCn2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-13(2)12-25-17-7-5-16(6-8-17)18(23)20-9-10-22-15(4)11-14(3)21-19(22)24/h5-8,11H,1,9-10,12H2,2-4H3,(H,20,23)
InChIKeyVBXBIOJSXSKQFV-UHFFFAOYSA-N
XLogP2.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
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 N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide (CID 46985669) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccc(C(=O)NCCn2c(C)cc(C)nc2=O)cc1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide?
The InChIKey is VBXBIOJSXSKQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)12-25-17-7-5-16(6-8-17)18(23)20-9-10-22-15(4)11-14(3)21-19(22)24/h5-8,11H,1,9-10,12H2,2-4H3,(H,20,23).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 46985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).