5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide

C24H28N4O5 — CID 16550906

IUPAC5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O5/c1-4-6-14-28-21(25)20(22(30)26-24(28)32)27(13-5-2)23(31)19-12-11-18(33-19)17-9-7-16(8-10-17)15(3)29/h7-12H,4-6,13-14,25H2,1-3H3,(H,26,30,32)
InChIKeyZGJAIZPHQHKTBX-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.44
Rot. Bonds9

About 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide

5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide (PubChem CID 16550906) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide
PubChem CID16550906
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O5/c1-4-6-14-28-21(25)20(22(30)26-24(28)32)27(13-5-2)23(31)19-12-11-18(33-19)17-9-7-16(8-10-17)15(3)29/h7-12H,4-6,13-14,25H2,1-3H3,(H,26,30,32)
InChIKeyZGJAIZPHQHKTBX-UHFFFAOYSA-N
XLogP3.44
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-nitrophenyl)furan-2-carboxamide
CID 16959407
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
CID 25102512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 24980841
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromofuran-2-carboxamide
CID 26186357
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(propan-2-ylsulfamoyl)-N-propylbenzamide
CID 16594295
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623702
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide (CID 16550906) is 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide is CCCCn1c(N)c(N(CCC)C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide?
The InChIKey is ZGJAIZPHQHKTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-4-6-14-28-21(25)20(22(30)26-24(28)32)27(13-5-2)23(31)19-12-11-18(33-19)17-9-7-16(8-10-17)15(3)29/h7-12H,4-6,13-14,25H2,1-3H3,(H,26,30,32).
What are the key properties of 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide?
5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide is sourced from PubChem (CID 16550906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).