2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide

C18H25N3O4 — CID 8506856

IUPAC2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NC(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-12(2)19-15(22)11-21-16(23)18(3,20-17(21)24)10-9-13-5-7-14(25-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyCOHUFGUUHZTOPU-SFHVURJKSA-N
MW347.42 g/mol
LogP1.46
Rot. Bonds7

About 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide

2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 8506856) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID8506856
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NC(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-12(2)19-15(22)11-21-16(23)18(3,20-17(21)24)10-9-13-5-7-14(25-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H,20,24)/t18-/m0/s1
InChIKeyCOHUFGUUHZTOPU-SFHVURJKSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.46
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

N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8567651
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
N-(ethylcarbamoyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8506964
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
N-cyclopropyl-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507131
N-cyclopropyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507132
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
N-(3-methoxyphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507084
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
N-[2-(4-methoxyphenyl)ethyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42898006
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 8507105

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide (CID 8506856) is 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide is COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NC(C)C)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is COHUFGUUHZTOPU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)19-15(22)11-21-16(23)18(3,20-17(21)24)10-9-13-5-7-14(25-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H,20,24)/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 347.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 8506856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).