2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide

C27H23N3O4 — CID 18559848

IUPAC2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3oc4ccccc4c32)c(C)c1
InChIInChI=1S/C27H23N3O4/c1-17-12-13-21(18(2)14-17)28-23(31)16-29-24-20-10-6-7-11-22(20)34-25(24)26(32)30(27(29)33)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,28,31)
InChIKeyORDNOUCFTDBIHP-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide

2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 18559848) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID18559848
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3oc4ccccc4c32)c(C)c1
InChIInChI=1S/C27H23N3O4/c1-17-12-13-21(18(2)14-17)28-23(31)16-29-24-20-10-6-7-11-22(20)34-25(24)26(32)30(27(29)33)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,28,31)
InChIKeyORDNOUCFTDBIHP-UHFFFAOYSA-N
XLogP4.21
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 18591039
N-(4-chloro-2-fluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365739
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 20900395
N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53334662
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365733
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-chlorophenyl)acetamide
CID 20900392
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46925353
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 71821887
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 16798892
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide (CID 18559848) is 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3oc4ccccc4c32)c(C)c1.
What is the InChIKey of 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is ORDNOUCFTDBIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-17-12-13-21(18(2)14-17)28-23(31)16-29-24-20-10-6-7-11-22(20)34-25(24)26(32)30(27(29)33)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,28,31).
What are the key properties of 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 18559848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).