2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide

C18H25N3O4 — CID 95328779

IUPAC2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCCOc2ccccc2)C1=O
InChIInChI=1S/C18H25N3O4/c1-4-18(13(2)3)16(23)21(17(24)20-18)12-15(22)19-10-11-25-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyKZPHYCNBVSVESS-SFHVURJKSA-N
MW347.42 g/mol
LogP1.54
Rot. Bonds8

About 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 95328779) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID95328779
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCCOc2ccccc2)C1=O
InChIInChI=1S/C18H25N3O4/c1-4-18(13(2)3)16(23)21(17(24)20-18)12-15(22)19-10-11-25-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyKZPHYCNBVSVESS-SFHVURJKSA-N
XLogP1.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27926091
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 8521724
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8608603
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679
N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55372996
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 43031509

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 95328779) is 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide is CC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCCOc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is KZPHYCNBVSVESS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-18(13(2)3)16(23)21(17(24)20-18)12-15(22)19-10-11-25-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 95328779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).