5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

C26H30N2O4 — CID 138510294

IUPAC5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)c1ccccc1OCC1CCCCC1
InChIInChI=1S/C26H30N2O4/c1-26(21-15-9-10-16-23(21)32-18-19-11-5-3-6-12-19)24(30)28(25(31)27(26)2)17-22(29)20-13-7-4-8-14-20/h4,7-10,13-16,19H,3,5-6,11-12,17-18H2,1-2H3
InChIKeyFPCHTVDSRIUUIP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.64
Rot. Bonds7

About 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 138510294) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
PubChem CID138510294
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)c1ccccc1OCC1CCCCC1
InChIInChI=1S/C26H30N2O4/c1-26(21-15-9-10-16-23(21)32-18-19-11-5-3-6-12-19)24(30)28(25(31)27(26)2)17-22(29)20-13-7-4-8-14-20/h4,7-10,13-16,19H,3,5-6,11-12,17-18H2,1-2H3
InChIKeyFPCHTVDSRIUUIP-UHFFFAOYSA-N
XLogP4.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione with MolForge

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Related Compounds

5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 90358741
1,5-dimethyl-3-phenacyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 90359148
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
CID 126729135
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one
CID 138510318
5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione
CID 118599528

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (CID 138510294) is 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)c1ccccc1OCC1CCCCC1.
What is the InChIKey of 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is FPCHTVDSRIUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-26(21-15-9-10-16-23(21)32-18-19-11-5-3-6-12-19)24(30)28(25(31)27(26)2)17-22(29)20-13-7-4-8-14-20/h4,7-10,13-16,19H,3,5-6,11-12,17-18H2,1-2H3.
What are the key properties of 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 434.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 138510294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).