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

C24H23N3O5 — CID 53365658

IUPACN-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)NC(c3cc(C)ccc3C)C3=C2COC3=O)c1
InChIInChI=1S/C24H23N3O5/c1-13-7-8-14(2)18(9-13)22-21-19(12-32-23(21)30)27(24(31)26-22)11-20(29)25-17-6-4-5-16(10-17)15(3)28/h4-10,22H,11-12H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyJAMVIMJOOJLQTD-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.02
Rot. Bonds5

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

N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53365658) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
PubChem CID53365658
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)NC(c3cc(C)ccc3C)C3=C2COC3=O)c1
InChIInChI=1S/C24H23N3O5/c1-13-7-8-14(2)18(9-13)22-21-19(12-32-23(21)30)27(24(31)26-22)11-20(29)25-17-6-4-5-16(10-17)15(3)28/h4-10,22H,11-12H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyJAMVIMJOOJLQTD-UHFFFAOYSA-N
XLogP3.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 95184632
N-(3-acetylphenyl)-2-[(4S)-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743671
N-(4-bromophenyl)-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95184618
N-(2,4-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53334030
2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 53334045
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95184598
methyl 2-[[2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 53334021
N-(3,5-difluorophenyl)-2-[(4R)-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743701
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 99744681
2-[(4R)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 99744680
N-(3-bromophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91894871
N-cyclohexyl-2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methylacetamide
CID 95184616

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (CID 53365658) is N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)NC(c3cc(C)ccc3C)C3=C2COC3=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is JAMVIMJOOJLQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-13-7-8-14(2)18(9-13)22-21-19(12-32-23(21)30)27(24(31)26-22)11-20(29)25-17-6-4-5-16(10-17)15(3)28/h4-10,22H,11-12H2,1-3H3,(H,25,29)(H,26,31).
What are the key properties of N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 433.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53365658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).