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

C18H21N3O4 — CID 164629570

IUPACN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21N3O4/c22-14(10-21-15(23)9-19-18(21)24)20-16-12-6-7-25-17(12)13(16)8-11-4-2-1-3-5-11/h1-5,12-13,16-17H,6-10H2,(H,19,24)(H,20,22)/t12-,13+,16-,17-/m1/s1
InChIKeyHIAUMBNARVFPTJ-DLTLXFJOSA-N
MW343.38 g/mol
LogP0.30
Rot. Bonds5

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

N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 164629570) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID164629570
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C18H21N3O4/c22-14(10-21-15(23)9-19-18(21)24)20-16-12-6-7-25-17(12)13(16)8-11-4-2-1-3-5-11/h1-5,12-13,16-17H,6-10H2,(H,19,24)(H,20,22)/t12-,13+,16-,17-/m1/s1
InChIKeyHIAUMBNARVFPTJ-DLTLXFJOSA-N
XLogP0.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.30
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

N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91782322
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91771547
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 164640186
1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
CID 133265633
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 91777813
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 91775976
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 133267787
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91786499
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 91786961
2-(2,5-dioxoimidazolidin-1-yl)-N-phenylmethoxyacetamide
CID 60668288
2-(2,5-dioxoimidazolidin-1-yl)-N-(2,2-diphenylethyl)acetamide
CID 86975393
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 133267150

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 164629570) is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1.
What is the InChIKey of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HIAUMBNARVFPTJ-DLTLXFJOSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-14(10-21-15(23)9-19-18(21)24)20-16-12-6-7-25-17(12)13(16)8-11-4-2-1-3-5-11/h1-5,12-13,16-17H,6-10H2,(H,19,24)(H,20,22)/t12-,13+,16-,17-/m1/s1.
What are the key properties of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 164629570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).