2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

C25H31N3O3 — CID 8521761

IUPAC2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O
InChIInChI=1S/C25H31N3O3/c1-4-15-25(20-13-9-6-10-14-20)23(30)28(24(31)27-25)17-22(29)26-21(16-18(2)3)19-11-7-5-8-12-19/h5-14,18,21H,4,15-17H2,1-3H3,(H,26,29)(H,27,31)/t21-,25-/m0/s1
InChIKeyMKNXFVUBECSLOJ-OFVILXPXSA-N
MW421.54 g/mol
LogP4.14
Rot. Bonds9

About 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 8521761) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
PubChem CID8521761
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O
InChIInChI=1S/C25H31N3O3/c1-4-15-25(20-13-9-6-10-14-20)23(30)28(24(31)27-25)17-22(29)26-21(16-18(2)3)19-11-7-5-8-12-19/h5-14,18,21H,4,15-17H2,1-3H3,(H,26,29)(H,27,31)/t21-,25-/m0/s1
InChIKeyMKNXFVUBECSLOJ-OFVILXPXSA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.14
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-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43027676
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-1,2-diphenylethyl]acetamide
CID 41208188
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521703
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028298
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521706
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30761854
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 24520327
2-[[2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
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
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
CID 4790489

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (CID 8521761) is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is MKNXFVUBECSLOJ-OFVILXPXSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-15-25(20-13-9-6-10-14-20)23(30)28(24(31)27-25)17-22(29)26-21(16-18(2)3)19-11-7-5-8-12-19/h5-14,18,21H,4,15-17H2,1-3H3,(H,26,29)(H,27,31)/t21-,25-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 8521761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).