[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C22H23N3O5 — CID 7708970

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C
InChIInChI=1S/C22H23N3O5/c1-14-8-7-11-17(15(14)2)23-18(26)13-30-19(27)12-25-20(28)22(3,24-21(25)29)16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,29)/t22-/m0/s1
InChIKeyPVSSXSSHRLOISK-QFIPXVFZSA-N
MW409.44 g/mol
LogP2.25
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7708970) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID7708970
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C
InChIInChI=1S/C22H23N3O5/c1-14-8-7-11-17(15(14)2)23-18(26)13-30-19(27)12-25-20(28)22(3,24-21(25)29)16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,29)/t22-/m0/s1
InChIKeyPVSSXSSHRLOISK-QFIPXVFZSA-N
XLogP2.25
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 ≤ 52.25
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

N-(2,3-dimethylphenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17438209
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55311167
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711003
N-(2,3-dimethylphenyl)-2-[[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 7242623
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18278725
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7479919
(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708910
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708470
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685076
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786663
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708935
N-(2,3-dimethylphenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52510822

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7708970) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is Cc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is PVSSXSSHRLOISK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-8-7-11-17(15(14)2)23-18(26)13-30-19(27)12-25-20(28)22(3,24-21(25)29)16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,29)/t22-/m0/s1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 409.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7708970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).