2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide

C21H31N3O3 — CID 8572588

IUPAC2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)CCC(C)C)C1=O
InChIInChI=1S/C21H31N3O3/c1-5-13-21(17-9-7-6-8-10-17)19(26)24(20(27)23-21)14-18(25)22-16(4)12-11-15(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,21-/m1/s1
InChIKeyZLDJWVFKCXMLJT-IIBYNOLFSA-N
MW373.50 g/mol
LogP3.17
Rot. Bonds9

About 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide

2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide (PubChem CID 8572588) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
PubChem CID8572588
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)CCC(C)C)C1=O
InChIInChI=1S/C21H31N3O3/c1-5-13-21(17-9-7-6-8-10-17)19(26)24(20(27)23-21)14-18(25)22-16(4)12-11-15(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,21-/m1/s1
InChIKeyZLDJWVFKCXMLJT-IIBYNOLFSA-N
XLogP3.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.17
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

2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-1,2-diphenylethyl]acetamide
CID 41208188
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7179501
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 41210523
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
N-(3-methylbutan-2-yl)-2-[4-(2-methylpropyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 42989141
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30761854

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide (CID 8572588) is 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide is CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)CCC(C)C)C1=O.
What is the InChIKey of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
The InChIKey is ZLDJWVFKCXMLJT-IIBYNOLFSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-13-21(17-9-7-6-8-10-17)19(26)24(20(27)23-21)14-18(25)22-16(4)12-11-15(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,21-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.17, 9 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-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide is sourced from PubChem (CID 8572588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).