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

C27H30N4O4 — CID 24686983

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCCCCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H30N4O4/c1-4-5-11-30(23(32)14-20-16-35-22-13-18(3)17(2)12-21(20)22)24-25(28)31(27(34)29-26(24)33)15-19-9-7-6-8-10-19/h6-10,12-13,16H,4-5,11,14-15,28H2,1-3H3,(H,29,33,34)
InChIKeyIFWXBSGWHFVORN-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.91
Rot. Bonds8

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 24686983) 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)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID24686983
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCCCCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H30N4O4/c1-4-5-11-30(23(32)14-20-16-35-22-13-18(3)17(2)12-21(20)22)24-25(28)31(27(34)29-26(24)33)15-19-9-7-6-8-10-19/h6-10,12-13,16H,4-5,11,14-15,28H2,1-3H3,(H,29,33,34)
InChIKeyIFWXBSGWHFVORN-UHFFFAOYSA-N
XLogP3.91
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.91
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)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 24686983) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is CCCCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is IFWXBSGWHFVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-4-5-11-30(23(32)14-20-16-35-22-13-18(3)17(2)12-21(20)22)24-25(28)31(27(34)29-26(24)33)15-19-9-7-6-8-10-19/h6-10,12-13,16H,4-5,11,14-15,28H2,1-3H3,(H,29,33,34).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 3.91, 8 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)-N-butyl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 24686983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).