N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide

C18H19N3O6 — CID 162631011

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)Nc3cc(=O)n(C)c(=O)n3C)oc2c1OC
InChIInChI=1S/C18H19N3O6/c1-9-10-6-7-11(25-4)16(26-5)15(10)27-14(9)17(23)19-12-8-13(22)21(3)18(24)20(12)2/h6-8H,1-5H3,(H,19,23)
InChIKeyABYFDLVWAJXHNF-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.41
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 162631011) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID162631011
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)Nc3cc(=O)n(C)c(=O)n3C)oc2c1OC
InChIInChI=1S/C18H19N3O6/c1-9-10-6-7-11(25-4)16(26-5)15(10)27-14(9)17(23)19-12-8-13(22)21(3)18(24)20(12)2/h6-8H,1-5H3,(H,19,23)
InChIKeyABYFDLVWAJXHNF-UHFFFAOYSA-N
XLogP1.41
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 162631011) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)Nc3cc(=O)n(C)c(=O)n3C)oc2c1OC.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ABYFDLVWAJXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-9-10-6-7-11(25-4)16(26-5)15(10)27-14(9)17(23)19-12-8-13(22)21(3)18(24)20(12)2/h6-8H,1-5H3,(H,19,23).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162631011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).