5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

C21H22N2O4 — CID 90358741

IUPAC5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCCOc1ccccc1C1(C)C(=O)N(CC(=O)c2ccccc2)C(=O)N1C
InChIInChI=1S/C21H22N2O4/c1-4-27-18-13-9-8-12-16(18)21(2)19(25)23(20(26)22(21)3)14-17(24)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3
InChIKeyCJSSHJLARCLDSW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.08
Rot. Bonds6

About 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 90358741) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
PubChem CID90358741
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCCOc1ccccc1C1(C)C(=O)N(CC(=O)c2ccccc2)C(=O)N1C
InChIInChI=1S/C21H22N2O4/c1-4-27-18-13-9-8-12-16(18)21(2)19(25)23(20(26)22(21)3)14-17(24)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3
InChIKeyCJSSHJLARCLDSW-UHFFFAOYSA-N
XLogP3.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 138510294
1,5-dimethyl-3-phenacyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 90359148
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
5-[(1Z,3Z)-2,5-diethoxyhexa-1,3,5-trienyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 138510343
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
CID 126729135
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
1,5-dimethyl-5-(3-methylbut-2-enyl)-3-phenacyl-1,3-diazinane-2,4,6-trione
CID 90358570
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352
(5S)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 7566809
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-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (CID 90358741) is 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is CCOc1ccccc1C1(C)C(=O)N(CC(=O)c2ccccc2)C(=O)N1C.
What is the InChIKey of 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is CJSSHJLARCLDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-27-18-13-9-8-12-16(18)21(2)19(25)23(20(26)22(21)3)14-17(24)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 90358741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).