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

C24H32N4O5 — CID 24980226

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(C(=O)c1oc2ccc(OCC)cc2c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-5-8-12-27(19-21(25)28(13-9-6-2)24(31)26-22(19)29)23(30)20-15(4)17-14-16(32-7-3)10-11-18(17)33-20/h10-11,14H,5-9,12-13,25H2,1-4H3,(H,26,29,31)
InChIKeyAUUWUANCUWTHDC-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.82
Rot. Bonds10

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24980226) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24980226
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCN(C(=O)c1oc2ccc(OCC)cc2c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-5-8-12-27(19-21(25)28(13-9-6-2)24(31)26-22(19)29)23(30)20-15(4)17-14-16(32-7-3)10-11-18(17)33-20/h10-11,14H,5-9,12-13,25H2,1-4H3,(H,26,29,31)
InChIKeyAUUWUANCUWTHDC-UHFFFAOYSA-N
XLogP3.82
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.82
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)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 24980226) is N-(6-amino-1-butyl-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-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-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(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AUUWUANCUWTHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-5-8-12-27(19-21(25)28(13-9-6-2)24(31)26-22(19)29)23(30)20-15(4)17-14-16(32-7-3)10-11-18(17)33-20/h10-11,14H,5-9,12-13,25H2,1-4H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-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 3.82, 10 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)-N-butyl-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24980226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).