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

C24H32N4O5 — CID 24981990

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(C(=O)c1oc2ccc(OCC)cc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-6-8-11-27(19-21(25)28(13-14(3)4)24(31)26-22(19)29)23(30)20-15(5)17-12-16(32-7-2)9-10-18(17)33-20/h9-10,12,14H,6-8,11,13,25H2,1-5H3,(H,26,29,31)
InChIKeyGHPJCROJYAPPGL-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.68
Rot. Bonds9

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24981990) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24981990
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(C(=O)c1oc2ccc(OCC)cc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-6-8-11-27(19-21(25)28(13-14(3)4)24(31)26-22(19)29)23(30)20-15(5)17-12-16(32-7-2)9-10-18(17)33-20/h9-10,12,14H,6-8,11,13,25H2,1-5H3,(H,26,29,31)
InChIKeyGHPJCROJYAPPGL-UHFFFAOYSA-N
XLogP3.68
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 24981990) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCCCN(C(=O)c1oc2ccc(OCC)cc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GHPJCROJYAPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-6-8-11-27(19-21(25)28(13-14(3)4)24(31)26-22(19)29)23(30)20-15(5)17-12-16(32-7-2)9-10-18(17)33-20/h9-10,12,14H,6-8,11,13,25H2,1-5H3,(H,26,29,31).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24981990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).