2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

C23H30FN3O3 — CID 8522584

IUPAC2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CC)C2=CCCCC2)C1=O
InChIInChI=1S/C23H30FN3O3/c1-3-5-15-23(17-11-13-18(24)14-12-17)21(29)27(22(30)25-23)16-20(28)26(4-2)19-9-7-6-8-10-19/h9,11-14H,3-8,10,15-16H2,1-2H3,(H,25,30)/t23-/m0/s1
InChIKeyVVUXHCFKWMVVGO-QHCPKHFHSA-N
MW415.51 g/mol
LogP4.07
Rot. Bonds8

About 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 8522584) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID8522584
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CC)C2=CCCCC2)C1=O
InChIInChI=1S/C23H30FN3O3/c1-3-5-15-23(17-11-13-18(24)14-12-17)21(29)27(22(30)25-23)16-20(28)26(4-2)19-9-7-6-8-10-19/h9,11-14H,3-8,10,15-16H2,1-2H3,(H,25,30)/t23-/m0/s1
InChIKeyVVUXHCFKWMVVGO-QHCPKHFHSA-N
XLogP4.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621362
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46814396
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 46814221

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 8522584) is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CC)C2=CCCCC2)C1=O.
What is the InChIKey of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is VVUXHCFKWMVVGO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-3-5-15-23(17-11-13-18(24)14-12-17)21(29)27(22(30)25-23)16-20(28)26(4-2)19-9-7-6-8-10-19/h9,11-14H,3-8,10,15-16H2,1-2H3,(H,25,30)/t23-/m0/s1.
What are the key properties of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 415.51 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 8522584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).