3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide

C22H29N3O3 — CID 46955875

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N[C@H]2C3CCCCC3[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C22H29N3O3/c1-22(2)20(27)25(21(28)24-22)13-12-17(26)23-19-16-11-7-6-10-15(16)18(19)14-8-4-3-5-9-14/h3-5,8-9,15-16,18-19H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,28)/t15?,16?,18-,19-/m0/s1
InChIKeyMYYWTTIFBZWPCK-VHZYLWGESA-N
MW383.49 g/mol
LogP2.80
Rot. Bonds5

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide (PubChem CID 46955875) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
PubChem CID46955875
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N[C@H]2C3CCCCC3[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C22H29N3O3/c1-22(2)20(27)25(21(28)24-22)13-12-17(26)23-19-16-11-7-6-10-15(16)18(19)14-8-4-3-5-9-14/h3-5,8-9,15-16,18-19H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,28)/t15?,16?,18-,19-/m0/s1
InChIKeyMYYWTTIFBZWPCK-VHZYLWGESA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 41078944
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 126417205
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide
CID 114549974
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
CID 126417233
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62896427
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
N-[cyclohexyl(phenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 71685791
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517031

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide (CID 46955875) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide is CC1(C)NC(=O)N(CCC(=O)N[C@H]2C3CCCCC3[C@@H]2c2ccccc2)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide?
The InChIKey is MYYWTTIFBZWPCK-VHZYLWGESA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2)20(27)25(21(28)24-22)13-12-17(26)23-19-16-11-7-6-10-15(16)18(19)14-8-4-3-5-9-14/h3-5,8-9,15-16,18-19H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,28)/t15?,16?,18-,19-/m0/s1.
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide is sourced from PubChem (CID 46955875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).