N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

C25H34N4O5 — CID 24686560

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N4O5/c1-6-8-12-29-22(26)20(23(30)27-25(29)32)28(13-11-15(3)4)24(31)21-16(5)18-14-17(33-7-2)9-10-19(18)34-21/h9-10,14-15H,6-8,11-13,26H2,1-5H3,(H,27,30,32)
InChIKeyOQOSXPIBJJPBJD-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.07
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 24686560) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
PubChem CID24686560
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N4O5/c1-6-8-12-29-22(26)20(23(30)27-25(29)32)28(13-11-15(3)4)24(31)21-16(5)18-14-17(33-7-2)9-10-19(18)34-21/h9-10,14-15H,6-8,11-13,26H2,1-5H3,(H,27,30,32)
InChIKeyOQOSXPIBJJPBJD-UHFFFAOYSA-N
XLogP4.07
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide (CID 24686560) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is OQOSXPIBJJPBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-6-8-12-29-22(26)20(23(30)27-25(29)32)28(13-11-15(3)4)24(31)21-16(5)18-14-17(33-7-2)9-10-19(18)34-21/h9-10,14-15H,6-8,11-13,26H2,1-5H3,(H,27,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24686560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).