2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C25H31N3O4 — CID 42948931

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1(C)NC(=O)N(CCOC(=O)c2c3c(nc4ccccc24)CCC(C(C)(C)C)C3)C1=O
InChIInChI=1S/C25H31N3O4/c1-24(2,3)15-10-11-19-17(14-15)20(16-8-6-7-9-18(16)26-19)21(29)32-13-12-28-22(30)25(4,5)27-23(28)31/h6-9,15H,10-14H2,1-5H3,(H,27,31)
InChIKeyORURNKYNSBELCM-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.87
Rot. Bonds4

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 42948931) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID42948931
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1(C)NC(=O)N(CCOC(=O)c2c3c(nc4ccccc24)CCC(C(C)(C)C)C3)C1=O
InChIInChI=1S/C25H31N3O4/c1-24(2,3)15-10-11-19-17(14-15)20(16-8-6-7-9-18(16)26-19)21(29)32-13-12-28-22(30)25(4,5)27-23(28)31/h6-9,15H,10-14H2,1-5H3,(H,27,31)
InChIKeyORURNKYNSBELCM-UHFFFAOYSA-N
XLogP3.87
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3658736
2-(4-methylphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3272240
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840037
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7872571
[2-(azepan-1-yl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840040
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2469012
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8750360
(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2585280
(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839993
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3274774
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839961

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 42948931) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC1(C)NC(=O)N(CCOC(=O)c2c3c(nc4ccccc24)CCC(C(C)(C)C)C3)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is ORURNKYNSBELCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-24(2,3)15-10-11-19-17(14-15)20(16-8-6-7-9-18(16)26-19)21(29)32-13-12-28-22(30)25(4,5)27-23(28)31/h6-9,15H,10-14H2,1-5H3,(H,27,31).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 42948931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).