2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

C21H29N3O3 — CID 17402356

IUPAC2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)C2CCC(C)CC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-4-21(16-8-6-5-7-9-16)19(26)24(20(27)22-21)14-18(25)23(3)17-12-10-15(2)11-13-17/h5-9,15,17H,4,10-14H2,1-3H3,(H,22,27)
InChIKeyPIXYYDSVRLDAEK-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 17402356) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID17402356
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)C2CCC(C)CC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-4-21(16-8-6-5-7-9-16)19(26)24(20(27)22-21)14-18(25)23(3)17-12-10-15(2)11-13-17/h5-9,15,17H,4,10-14H2,1-3H3,(H,22,27)
InChIKeyPIXYYDSVRLDAEK-UHFFFAOYSA-N
XLogP2.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.88
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

N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708
N-cyclohexyl-N-ethyl-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242783
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2582395
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7179645
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24556938
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892071
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11892072
N-cyclopropyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8572165
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenyl-N-prop-2-enylacetamide
CID 51215251

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 17402356) is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)C2CCC(C)CC2)C1=O.
What is the InChIKey of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is PIXYYDSVRLDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-21(16-8-6-5-7-9-16)19(26)24(20(27)22-21)14-18(25)23(3)17-12-10-15(2)11-13-17/h5-9,15,17H,4,10-14H2,1-3H3,(H,22,27).
What are the key properties of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 17402356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).