N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C17H19N3O4 — CID 32905444

IUPACN-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NN3CC(=O)NC3=O)c2cc1C(C)C
InChIInChI=1S/C17H19N3O4/c1-9(2)12-6-13-11(8-24-14(13)4-10(12)3)5-15(21)19-20-7-16(22)18-17(20)23/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)(H,18,22,23)
InChIKeyNTDTYVNNCYSZQD-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.99
Rot. Bonds4

About N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 32905444) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID32905444
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NN3CC(=O)NC3=O)c2cc1C(C)C
InChIInChI=1S/C17H19N3O4/c1-9(2)12-6-13-11(8-24-14(13)4-10(12)3)5-15(21)19-20-7-16(22)18-17(20)23/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)(H,18,22,23)
InChIKeyNTDTYVNNCYSZQD-UHFFFAOYSA-N
XLogP1.99
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 95321206
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-piperidin-3-ylacetamide
CID 119424316
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
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CID 39969563
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18168407
N-[1-(1-adamantyl)ethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 4538840
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
2-[4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215413
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55433162
1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 32905444) is N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)NN3CC(=O)NC3=O)c2cc1C(C)C.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is NTDTYVNNCYSZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-9(2)12-6-13-11(8-24-14(13)4-10(12)3)5-15(21)19-20-7-16(22)18-17(20)23/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)(H,18,22,23).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 32905444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).