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

C24H29N3O3 — CID 30761854

IUPAC2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](CC)c2ccccc2)C1=O
InChIInChI=1S/C24H29N3O3/c1-3-15-24(20-13-9-6-10-14-20)22(29)27(23(30)26-24)17-21(28)25-16-18(4-2)19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,25,28)(H,26,30)/t18-,24+/m1/s1
InChIKeyKKTQNAOUVZLLIB-KOSHJBKYSA-N
MW407.51 g/mol
LogP3.54
Rot. Bonds9

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

2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide (PubChem CID 30761854) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
PubChem CID30761854
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](CC)c2ccccc2)C1=O
InChIInChI=1S/C24H29N3O3/c1-3-15-24(20-13-9-6-10-14-20)22(29)27(23(30)26-24)17-21(28)25-16-18(4-2)19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,25,28)(H,26,30)/t18-,24+/m1/s1
InChIKeyKKTQNAOUVZLLIB-KOSHJBKYSA-N
XLogP3.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.54
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)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-1,2-diphenylethyl]acetamide
CID 41208188
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588
2-[[2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181255
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8943511
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide (CID 30761854) is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](CC)c2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide?
The InChIKey is KKTQNAOUVZLLIB-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-15-24(20-13-9-6-10-14-20)22(29)27(23(30)26-24)17-21(28)25-16-18(4-2)19-11-7-5-8-12-19/h5-14,18H,3-4,15-17H2,1-2H3,(H,25,28)(H,26,30)/t18-,24+/m1/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide?
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.54, 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-[(2S)-2-phenylbutyl]acetamide is sourced from PubChem (CID 30761854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).