2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C17H27N3O4 — CID 95775943

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O
InChIInChI=1S/C17H27N3O4/c1-5-17(6-2)14(22)20(15(23)19-17)9-11(21)18-12-10-7-8-24-13(10)16(12,3)4/h10,12-13H,5-9H2,1-4H3,(H,18,21)(H,19,23)/t10-,12-,13+/m1/s1
InChIKeyZMMNQXGHVIZEJH-RTXFEEFZSA-N
MW337.42 g/mol
LogP1.03
Rot. Bonds5

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 95775943) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID95775943
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O
InChIInChI=1S/C17H27N3O4/c1-5-17(6-2)14(22)20(15(23)19-17)9-11(21)18-12-10-7-8-24-13(10)16(12,3)4/h10,12-13H,5-9H2,1-4H3,(H,18,21)(H,19,23)/t10-,12-,13+/m1/s1
InChIKeyZMMNQXGHVIZEJH-RTXFEEFZSA-N
XLogP1.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.03
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-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 95775943) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is ZMMNQXGHVIZEJH-RTXFEEFZSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-17(6-2)14(22)20(15(23)19-17)9-11(21)18-12-10-7-8-24-13(10)16(12,3)4/h10,12-13H,5-9H2,1-4H3,(H,18,21)(H,19,23)/t10-,12-,13+/m1/s1.
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 95775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).