2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide

C24H29N3O4 — CID 7802468

IUPAC2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-4-9-20(17-10-7-6-8-11-17)25-21(28)16-27-22(29)24(5-2,26-23(27)30)18-12-14-19(31-3)15-13-18/h6-8,10-15,20H,4-5,9,16H2,1-3H3,(H,25,28)(H,26,30)/t20-,24+/m1/s1
InChIKeyAVUGVAOWBDEPJK-YKSBVNFPSA-N
MW423.51 g/mol
LogP3.51
Rot. Bonds9

About 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide (PubChem CID 7802468) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
PubChem CID7802468
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-4-9-20(17-10-7-6-8-11-17)25-21(28)16-27-22(29)24(5-2,26-23(27)30)18-12-14-19(31-3)15-13-18/h6-8,10-15,20H,4-5,9,16H2,1-3H3,(H,25,28)(H,26,30)/t20-,24+/m1/s1
InChIKeyAVUGVAOWBDEPJK-YKSBVNFPSA-N
XLogP3.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 8566054
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
CID 8566066
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43027676
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521706
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-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7595447
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide (CID 7802468) is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide is CCC[C@@H](NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O)c1ccccc1.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The InChIKey is AVUGVAOWBDEPJK-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-9-20(17-10-7-6-8-11-17)25-21(28)16-27-22(29)24(5-2,26-23(27)30)18-12-14-19(31-3)15-13-18/h6-8,10-15,20H,4-5,9,16H2,1-3H3,(H,25,28)(H,26,30)/t20-,24+/m1/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide?
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide is sourced from PubChem (CID 7802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).