3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione

C16H23N3O3 — CID 547159

IUPAC3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C2(C)NC(=O)N(CCN(C)C)C2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-5-22-13-8-6-12(7-9-13)16(2)14(20)19(15(21)17-16)11-10-18(3)4/h6-9H,5,10-11H2,1-4H3,(H,17,21)
InChIKeyCTEFURXZJGDQNP-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.41
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione

3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 547159) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID547159
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C2(C)NC(=O)N(CCN(C)C)C2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-5-22-13-8-6-12(7-9-13)16(2)14(20)19(15(21)17-16)11-10-18(3)4/h6-9H,5,10-11H2,1-4H3,(H,17,21)
InChIKeyCTEFURXZJGDQNP-UHFFFAOYSA-N
XLogP1.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ambucetamide
CID 10616
Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
5-(4-Isopropoxy-phenyl)-imidazolidine-2,4-dione
CID 578335
Hydantoin, 5-(p-isopropoxyphenyl)-5-methyl-
CID 3052153
5-(4-Methoxyphenyl)imidazolidine-2,4-dione
CID 265445
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 8005518
4-ethoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 2080641
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2483511

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 547159) is 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione is CCOc1ccc(C2(C)NC(=O)N(CCN(C)C)C2=O)cc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CTEFURXZJGDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-22-13-8-6-12(7-9-13)16(2)14(20)19(15(21)17-16)11-10-18(3)4/h6-9H,5,10-11H2,1-4H3,(H,17,21).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 305.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).