3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

C18H23N3O4 — CID 121159768

IUPAC3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(OCC(=O)N2CCC(N3C(=O)CNC3=O)C2)cc1
InChIInChI=1S/C18H23N3O4/c1-12(2)13-3-5-15(6-4-13)25-11-17(23)20-8-7-14(10-20)21-16(22)9-19-18(21)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,24)
InChIKeyIECRNSHWNVOCLH-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.34
Rot. Bonds5

About 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159768) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159768
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(OCC(=O)N2CCC(N3C(=O)CNC3=O)C2)cc1
InChIInChI=1S/C18H23N3O4/c1-12(2)13-3-5-15(6-4-13)25-11-17(23)20-8-7-14(10-20)21-16(22)9-19-18(21)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,24)
InChIKeyIECRNSHWNVOCLH-UHFFFAOYSA-N
XLogP1.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.34
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

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
3-[1-[3-(4-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159818
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
CID 49063748
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
CID 66082939
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159717

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159768) is 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is CC(C)c1ccc(OCC(=O)N2CCC(N3C(=O)CNC3=O)C2)cc1.
What is the InChIKey of 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is IECRNSHWNVOCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(2)13-3-5-15(6-4-13)25-11-17(23)20-8-7-14(10-20)21-16(22)9-19-18(21)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,24).
What are the key properties of 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).