2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide

C18H21N3O3 — CID 126417233

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
SMILESO=C1CN(CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)C(=O)N1
InChIInChI=1S/C18H21N3O3/c22-14(9-21-10-15(23)20-18(21)24)19-17-13-8-4-7-12(13)16(17)11-5-2-1-3-6-11/h1-3,5-6,12-13,16-17H,4,7-10H2,(H,19,22)(H,20,23,24)/t12-,13-,16-,17-/m1/s1
InChIKeyZXYWHPWJNFPNIM-BQGCOEIASA-N
MW327.38 g/mol
LogP1.24
Rot. Bonds4

About 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide (PubChem CID 126417233) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
PubChem CID126417233
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
SMILESO=C1CN(CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)C(=O)N1
InChIInChI=1S/C18H21N3O3/c22-14(9-21-10-15(23)20-18(21)24)19-17-13-8-4-7-12(13)16(17)11-5-2-1-3-6-11/h1-3,5-6,12-13,16-17H,4,7-10H2,(H,19,22)(H,20,23,24)/t12-,13-,16-,17-/m1/s1
InChIKeyZXYWHPWJNFPNIM-BQGCOEIASA-N
XLogP1.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 46955875
(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide
CID 92548302
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
CID 125037369
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
(3R)-1-methyl-5-oxo-N-[(1S,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]pyrrolidine-3-carboxamide
CID 126417177
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 126417205
N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
CID 126417107
N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 133120470
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
(2R)-N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]oxolane-2-carboxamide
CID 124938841
N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110216223
4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 126417165

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide (CID 126417233) is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide is O=C1CN(CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)C(=O)N1.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide?
The InChIKey is ZXYWHPWJNFPNIM-BQGCOEIASA-N. The full InChI is InChI=1S/C18H21N3O3/c22-14(9-21-10-15(23)20-18(21)24)19-17-13-8-4-7-12(13)16(17)11-5-2-1-3-6-11/h1-3,5-6,12-13,16-17H,4,7-10H2,(H,19,22)(H,20,23,24)/t12-,13-,16-,17-/m1/s1.
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide?
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide is sourced from PubChem (CID 126417233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).