2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid

C16H20N2O5 — CID 75532094

IUPAC2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
SMILESCCC1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C16H20N2O5/c1-4-16(11-5-7-12(8-6-11)23-10(2)3)14(21)18(9-13(19)20)15(22)17-16/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyTYBWWICGISYOPB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid

2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid (PubChem CID 75532094) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
PubChem CID75532094
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
SMILESCCC1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C16H20N2O5/c1-4-16(11-5-7-12(8-6-11)23-10(2)3)14(21)18(9-13(19)20)15(22)17-16/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyTYBWWICGISYOPB-UHFFFAOYSA-N
XLogP1.72
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 94752250
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532088
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 7595546
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 8566054
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
CID 8566066
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7179645
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2582395

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid (CID 75532094) is 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid is CCC1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid?
The InChIKey is TYBWWICGISYOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-4-16(11-5-7-12(8-6-11)23-10(2)3)14(21)18(9-13(19)20)15(22)17-16/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,20).
What are the key properties of 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid?
2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid is sourced from PubChem (CID 75532094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).