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

C23H30N4O5 — CID 24981634

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2oc3ccc(OC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N4O5/c1-6-7-10-26-20(24)18(21(28)25-23(26)30)27(12-13(2)3)22(29)19-14(4)16-11-15(31-5)8-9-17(16)32-19/h8-9,11,13H,6-7,10,12,24H2,1-5H3,(H,25,28,30)
InChIKeyZSHWFZKUSSBWKD-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.28
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 24981634) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
PubChem CID24981634
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2oc3ccc(OC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N4O5/c1-6-7-10-26-20(24)18(21(28)25-23(26)30)27(12-13(2)3)22(29)19-14(4)16-11-15(31-5)8-9-17(16)32-19/h8-9,11,13H,6-7,10,12,24H2,1-5H3,(H,25,28,30)
InChIKeyZSHWFZKUSSBWKD-UHFFFAOYSA-N
XLogP3.28
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.28
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-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (CID 24981634) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2oc3ccc(OC)cc3c2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZSHWFZKUSSBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-6-7-10-26-20(24)18(21(28)25-23(26)30)27(12-13(2)3)22(29)19-14(4)16-11-15(31-5)8-9-17(16)32-19/h8-9,11,13H,6-7,10,12,24H2,1-5H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.28, 8 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-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24981634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).