2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

C16H21N3O4 — CID 95163208

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C16H21N3O4/c1-9-4-10-11(5-16(2,3)6-12(10)23-9)18-13(20)8-19-14(21)7-17-15(19)22/h4,11H,5-8H2,1-3H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyGGMMPFJNGYEKRU-LLVKDONJSA-N
MW319.36 g/mol
LogP1.27
Rot. Bonds3

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide (PubChem CID 95163208) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
PubChem CID95163208
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C16H21N3O4/c1-9-4-10-11(5-16(2,3)6-12(10)23-9)18-13(20)8-19-14(21)7-17-15(19)22/h4,11H,5-8H2,1-3H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyGGMMPFJNGYEKRU-LLVKDONJSA-N
XLogP1.27
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide (CID 95163208) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide is Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
The InChIKey is GGMMPFJNGYEKRU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-9-4-10-11(5-16(2,3)6-12(10)23-9)18-13(20)8-19-14(21)7-17-15(19)22/h4,11H,5-8H2,1-3H3,(H,17,22)(H,18,20)/t11-/m1/s1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide is sourced from PubChem (CID 95163208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).