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

C22H28N4O6 — CID 24817941

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2oc3ccc(OC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N4O6/c1-5-6-9-26-19(23)17(20(27)24-22(26)29)25(10-11-30-3)21(28)18-13(2)15-12-14(31-4)7-8-16(15)32-18/h7-8,12H,5-6,9-11,23H2,1-4H3,(H,24,27,29)
InChIKeyGHLOBHZOKYLCJP-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.28
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24817941) has the molecular formula C22H28N4O6 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24817941
Molecular FormulaC22H28N4O6
Molecular Weight444.49 g/mol
Exact Mass444.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2oc3ccc(OC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N4O6/c1-5-6-9-26-19(23)17(20(27)24-22(26)29)25(10-11-30-3)21(28)18-13(2)15-12-14(31-4)7-8-16(15)32-18/h7-8,12H,5-6,9-11,23H2,1-4H3,(H,24,27,29)
InChIKeyGHLOBHZOKYLCJP-UHFFFAOYSA-N
XLogP2.28
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 24817941) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is CCCCn1c(N)c(N(CCOC)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-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GHLOBHZOKYLCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O6/c1-5-6-9-26-19(23)17(20(27)24-22(26)29)25(10-11-30-3)21(28)18-13(2)15-12-14(31-4)7-8-16(15)32-18/h7-8,12H,5-6,9-11,23H2,1-4H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24817941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).