N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide

C27H30N4O4 — CID 24982339

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1cc2occ(CC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2cc1C
InChIInChI=1S/C27H30N4O4/c1-16(2)13-30(23(32)12-20-15-35-22-11-18(4)17(3)10-21(20)22)24-25(28)31(27(34)29-26(24)33)14-19-8-6-5-7-9-19/h5-11,15-16H,12-14,28H2,1-4H3,(H,29,33,34)
InChIKeySWWBNYPSDKTPQA-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.76
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 24982339) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID24982339
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1cc2occ(CC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2cc1C
InChIInChI=1S/C27H30N4O4/c1-16(2)13-30(23(32)12-20-15-35-22-11-18(4)17(3)10-21(20)22)24-25(28)31(27(34)29-26(24)33)14-19-8-6-5-7-9-19/h5-11,15-16H,12-14,28H2,1-4H3,(H,29,33,34)
InChIKeySWWBNYPSDKTPQA-UHFFFAOYSA-N
XLogP3.76
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide (CID 24982339) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide is Cc1cc2occ(CC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2cc1C.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is SWWBNYPSDKTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-16(2)13-30(23(32)12-20-15-35-22-11-18(4)17(3)10-21(20)22)24-25(28)31(27(34)29-26(24)33)14-19-8-6-5-7-9-19/h5-11,15-16H,12-14,28H2,1-4H3,(H,29,33,34).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24982339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).