3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione

C15H21N3O2 — CID 82147813

IUPAC3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(C)c(C)c2)NC(=O)N(CCN)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-15(12-6-5-10(2)11(3)9-12)13(19)18(8-7-16)14(20)17-15/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,20)
InChIKeyXEELGJFBSCPRAU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.42
Rot. Bonds4

About 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione

3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione (PubChem CID 82147813) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione
PubChem CID82147813
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(C)c(C)c2)NC(=O)N(CCN)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-15(12-6-5-10(2)11(3)9-12)13(19)18(8-7-16)14(20)17-15/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,20)
InChIKeyXEELGJFBSCPRAU-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 82148616
3-(3-aminopropyl)-5-ethyl-5-(4-methoxy-3-methylphenyl)imidazolidine-2,4-dione
CID 82147903
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532088
5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82302226
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18224764
5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione
CID 47011236
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione (CID 82147813) is 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione is CCC1(c2ccc(C)c(C)c2)NC(=O)N(CCN)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione?
The InChIKey is XEELGJFBSCPRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(12-6-5-10(2)11(3)9-12)13(19)18(8-7-16)14(20)17-15/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,20).
What are the key properties of 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione?
3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione has a molecular weight of 275.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 82147813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).