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

C24H32N4O5 — CID 24687341

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-6-8-11-27-21(25)19(22(29)26-24(27)31)28(13-14(3)4)23(30)20-15(5)17-12-16(32-7-2)9-10-18(17)33-20/h9-10,12,14H,6-8,11,13,25H2,1-5H3,(H,26,29,31)
InChIKeyKKHKFXUGSOBFAV-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.68
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 24687341) 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)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
PubChem CID24687341
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2oc3ccc(OCC)cc3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C24H32N4O5/c1-6-8-11-27-21(25)19(22(29)26-24(27)31)28(13-14(3)4)23(30)20-15(5)17-12-16(32-7-2)9-10-18(17)33-20/h9-10,12,14H,6-8,11,13,25H2,1-5H3,(H,26,29,31)
InChIKeyKKHKFXUGSOBFAV-UHFFFAOYSA-N
XLogP3.68
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.68
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-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (CID 24687341) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-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-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is CCCCn1c(N)c(N(CC(C)C)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-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is KKHKFXUGSOBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-6-8-11-27-21(25)19(22(29)26-24(27)31)28(13-14(3)4)23(30)20-15(5)17-12-16(32-7-2)9-10-18(17)33-20/h9-10,12,14H,6-8,11,13,25H2,1-5H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 3.68, 9 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-ethoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24687341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).