N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide

C24H24N4O4 — CID 30922930

IUPACN-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2c3c(c(=O)n(Cc4ccccc4)c2=O)CCC3)cc1
InChIInChI=1S/C24H24N4O4/c1-16(29)25-18-10-12-19(13-11-18)26-22(30)15-27-21-9-5-8-20(21)23(31)28(24(27)32)14-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyCDODJBXZKCZAAC-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.14
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide

N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide (PubChem CID 30922930) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide
PubChem CID30922930
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2c3c(c(=O)n(Cc4ccccc4)c2=O)CCC3)cc1
InChIInChI=1S/C24H24N4O4/c1-16(29)25-18-10-12-19(13-11-18)26-22(30)15-27-21-9-5-8-20(21)23(31)28(24(27)32)14-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyCDODJBXZKCZAAC-UHFFFAOYSA-N
XLogP2.14
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22423491
N-(4-methylphenyl)-2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
CID 50754030
2-(3-benzyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-phenylacetamide
CID 39334843
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
2-[2,4-dioxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 6621623
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688871
N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 121118332
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
CID 53109812
2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-(4-ethylphenyl)acetamide
CID 112773973
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-(4-chlorophenyl)-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetamide
CID 26581077
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide (CID 30922930) is N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2c3c(c(=O)n(Cc4ccccc4)c2=O)CCC3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide?
The InChIKey is CDODJBXZKCZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16(29)25-18-10-12-19(13-11-18)26-22(30)15-27-21-9-5-8-20(21)23(31)28(24(27)32)14-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-benzyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 30922930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).