2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C15H18N2O4 — CID 75532088

IUPAC2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCCC1(c2ccc(C)c(C)c2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C15H18N2O4/c1-4-15(11-6-5-9(2)10(3)7-11)13(20)17(8-12(18)19)14(21)16-15/h5-7H,4,8H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyTZOWRDJFRWUBEJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 75532088) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID75532088
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCCC1(c2ccc(C)c(C)c2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C15H18N2O4/c1-4-15(11-6-5-9(2)10(3)7-11)13(20)17(8-12(18)19)14(21)16-15/h5-7H,4,8H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyTZOWRDJFRWUBEJ-UHFFFAOYSA-N
XLogP1.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.55
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-(2-aminoethyl)-5-(3,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione
CID 82147813
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 94752250
3-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
CID 82148616
2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
CID 75532094
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18224764
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
CID 7594320
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752273

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 75532088) is 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid is CCC1(c2ccc(C)c(C)c2)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is TZOWRDJFRWUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-15(11-6-5-9(2)10(3)7-11)13(20)17(8-12(18)19)14(21)16-15/h5-7H,4,8H2,1-3H3,(H,16,21)(H,18,19).
What are the key properties of 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 75532088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).