2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide

C22H29N3O3 — CID 125037369

IUPAC2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
SMILESCCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C22H29N3O3/c1-2-12-25-21(27)17(23-22(25)28)13-18(26)24-20-16-11-7-6-10-15(16)19(20)14-8-4-3-5-9-14/h3-5,8-9,15-17,19-20H,2,6-7,10-13H2,1H3,(H,23,28)(H,24,26)/t15-,16-,17-,19+,20+/m1/s1
InChIKeyNYDTXPKRSIXSCG-QKMNUUQDSA-N
MW383.49 g/mol
LogP2.80
Rot. Bonds6

About 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide

2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide (PubChem CID 125037369) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
PubChem CID125037369
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
SMILESCCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C22H29N3O3/c1-2-12-25-21(27)17(23-22(25)28)13-18(26)24-20-16-11-7-6-10-15(16)19(20)14-8-4-3-5-9-14/h3-5,8-9,15-17,19-20H,2,6-7,10-13H2,1H3,(H,23,28)(H,24,26)/t15-,16-,17-,19+,20+/m1/s1
InChIKeyNYDTXPKRSIXSCG-QKMNUUQDSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
The IUPAC name of 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) is 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide is CCCN1C(=O)N[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C1=O.
What is the InChIKey of 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
The InChIKey is NYDTXPKRSIXSCG-QKMNUUQDSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-12-25-21(27)17(23-22(25)28)13-18(26)24-20-16-11-7-6-10-15(16)19(20)14-8-4-3-5-9-14/h3-5,8-9,15-17,19-20H,2,6-7,10-13H2,1H3,(H,23,28)(H,24,26)/t15-,16-,17-,19+,20+/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide is sourced from PubChem (CID 125037369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).