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

C23H30N4O6 — CID 25162096

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c(C)c2c1
InChIInChI=1S/C23H30N4O6/c1-6-32-15-7-8-17-16(11-15)14(4)19(33-17)22(29)26(9-10-31-5)18-20(24)27(12-13(2)3)23(30)25-21(18)28/h7-8,11,13H,6,9-10,12,24H2,1-5H3,(H,25,28,30)
InChIKeyVUYCPCKXMGFISB-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.52
Rot. Bonds9

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 25162096) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID25162096
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c(C)c2c1
InChIInChI=1S/C23H30N4O6/c1-6-32-15-7-8-17-16(11-15)14(4)19(33-17)22(29)26(9-10-31-5)18-20(24)27(12-13(2)3)23(30)25-21(18)28/h7-8,11,13H,6,9-10,12,24H2,1-5H3,(H,25,28,30)
InChIKeyVUYCPCKXMGFISB-UHFFFAOYSA-N
XLogP2.52
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.52
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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 25162096) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c(C)c2c1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VUYCPCKXMGFISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6/c1-6-32-15-7-8-17-16(11-15)14(4)19(33-17)22(29)26(9-10-31-5)18-20(24)27(12-13(2)3)23(30)25-21(18)28/h7-8,11,13H,6,9-10,12,24H2,1-5H3,(H,25,28,30).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.52, 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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25162096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).