(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C23H30N2O4 — CID 55339619

IUPAC(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OC2CC3CC(C2C)C3(C)C)C1=O
InChIInChI=1S/C23H30N2O4/c1-5-23(15-9-7-6-8-10-15)20(27)25(21(28)24-23)13-19(26)29-18-12-16-11-17(14(18)2)22(16,3)4/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,24,28)
InChIKeyQYXUCTCLHKOSAV-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.46
Rot. Bonds5

About (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 55339619) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID55339619
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OC2CC3CC(C2C)C3(C)C)C1=O
InChIInChI=1S/C23H30N2O4/c1-5-23(15-9-7-6-8-10-15)20(27)25(21(28)24-23)13-19(26)29-18-12-16-11-17(14(18)2)22(16,3)4/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,24,28)
InChIKeyQYXUCTCLHKOSAV-UHFFFAOYSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 9170354
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11892072
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892071
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 17402356
N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242749

Frequently Asked Questions

What is the IUPAC name of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 55339619) is (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCC1(c2ccccc2)NC(=O)N(CC(=O)OC2CC3CC(C2C)C3(C)C)C1=O.
What is the InChIKey of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is QYXUCTCLHKOSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-23(15-9-7-6-8-10-15)20(27)25(21(28)24-23)13-19(26)29-18-12-16-11-17(14(18)2)22(16,3)4/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,24,28).
What are the key properties of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 398.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 55339619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).