[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate

C22H23N3O5 — CID 9290711

IUPAC[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C22H23N3O5/c1-4-22(17-8-6-5-7-9-17)20(28)25(21(29)23-22)24-18(26)13-30-19(27)16-11-10-14(2)15(3)12-16/h5-12H,4,13H2,1-3H3,(H,23,29)(H,24,26)/t22-/m0/s1
InChIKeyDFZUQGPDPSWTRY-QFIPXVFZSA-N
MW409.44 g/mol
LogP2.35
Rot. Bonds6

About [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 9290711) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID9290711
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C22H23N3O5/c1-4-22(17-8-6-5-7-9-17)20(28)25(21(29)23-22)24-18(26)13-30-19(27)16-11-10-14(2)15(3)12-16/h5-12H,4,13H2,1-3H3,(H,23,29)(H,24,26)/t22-/m0/s1
InChIKeyDFZUQGPDPSWTRY-QFIPXVFZSA-N
XLogP2.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347999
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-fluorophenoxy)acetamide
CID 9012529
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197116
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-phenoxybenzamide
CID 9293579
2-(3-cyanophenoxy)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9334906
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938

Frequently Asked Questions

What is the IUPAC name of [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 9290711) is [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is DFZUQGPDPSWTRY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-22(17-8-6-5-7-9-17)20(28)25(21(29)23-22)24-18(26)13-30-19(27)16-11-10-14(2)15(3)12-16/h5-12H,4,13H2,1-3H3,(H,23,29)(H,24,26)/t22-/m0/s1.
What are the key properties of [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 409.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 9290711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).