(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

C19H24N2O4 — CID 86977225

IUPAC(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1cc(OC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc(C(C)C)c1
InChIInChI=1S/C19H24N2O4/c1-11(2)13-7-12(3)8-15(9-13)25-16(22)10-21-17(23)19(4,14-5-6-14)20-18(21)24/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,24)
InChIKeyAYXWAOIJJMGWCA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.74
Rot. Bonds5

About (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 86977225) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID86977225
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1cc(OC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc(C(C)C)c1
InChIInChI=1S/C19H24N2O4/c1-11(2)13-7-12(3)8-15(9-13)25-16(22)10-21-17(23)19(4,14-5-6-14)20-18(21)24/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,24)
InChIKeyAYXWAOIJJMGWCA-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 78790836
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 43023961
(1-cyclopropylcyclopropyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 102559296
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033846
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47009670
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
CID 119358201
(3-methyl-5-propan-2-ylphenyl) 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 87011717
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 86977225) is (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is Cc1cc(OC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)cc(C(C)C)c1.
What is the InChIKey of (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is AYXWAOIJJMGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(2)13-7-12(3)8-15(9-13)25-16(22)10-21-17(23)19(4,14-5-6-14)20-18(21)24/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,24).
What are the key properties of (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 344.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 86977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).