2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C24H25N3O6 — CID 91895032

IUPAC2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1C1NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C2=C1C(=O)OC2
InChIInChI=1S/C24H25N3O6/c1-3-32-19-7-5-4-6-17(19)22-21-18(14-33-23(21)29)27(24(30)26-22)13-20(28)25-12-15-8-10-16(31-2)11-9-15/h4-11,22H,3,12-14H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIJMRDBCCCLZBIU-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.29
Rot. Bonds8

About 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 91895032) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID91895032
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1C1NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C2=C1C(=O)OC2
InChIInChI=1S/C24H25N3O6/c1-3-32-19-7-5-4-6-17(19)22-21-18(14-33-23(21)29)27(24(30)26-22)13-20(28)25-12-15-8-10-16(31-2)11-9-15/h4-11,22H,3,12-14H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIJMRDBCCCLZBIU-UHFFFAOYSA-N
XLogP2.29
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 99744718
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 99743879
2-[(4R)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propylacetamide
CID 99745316
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53365706
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 99743855
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 99743767
N-ethyl-N-(4-ethylphenyl)-2-[(4S)-4-(2-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128297
N-[(3-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91894971
N,N-diethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128634
2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128970
N-(4-methoxyphenyl)-2-[(4S)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95394611
2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 99743722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 91895032) is 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is CCOc1ccccc1C1NC(=O)N(CC(=O)NCc2ccc(OC)cc2)C2=C1C(=O)OC2.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is IJMRDBCCCLZBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-3-32-19-7-5-4-6-17(19)22-21-18(14-33-23(21)29)27(24(30)26-22)13-20(28)25-12-15-8-10-16(31-2)11-9-15/h4-11,22H,3,12-14H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 451.48 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 91895032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).