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

C23H30N4O6 — CID 24979223

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N4O6/c1-5-7-10-27-20(24)18(21(28)25-23(27)30)26(11-12-31-4)22(29)19-14(3)16-13-15(32-6-2)8-9-17(16)33-19/h8-9,13H,5-7,10-12,24H2,1-4H3,(H,25,28,30)
InChIKeyINPWDYCDKXTRNG-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.67
Rot. Bonds10

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24979223) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24979223
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N4O6/c1-5-7-10-27-20(24)18(21(28)25-23(27)30)26(11-12-31-4)22(29)19-14(3)16-13-15(32-6-2)8-9-17(16)33-19/h8-9,13H,5-7,10-12,24H2,1-4H3,(H,25,28,30)
InChIKeyINPWDYCDKXTRNG-UHFFFAOYSA-N
XLogP2.67
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.67
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-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 24979223) is N-(6-amino-1-butyl-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-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is CCCCn1c(N)c(N(CCOC)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-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is INPWDYCDKXTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6/c1-5-7-10-27-20(24)18(21(28)25-23(27)30)26(11-12-31-4)22(29)19-14(3)16-13-15(32-6-2)8-9-17(16)33-19/h8-9,13H,5-7,10-12,24H2,1-4H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-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 2.67, 10 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-ethoxy-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24979223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).