N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H20N4O5 — CID 31434334

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cn2c(=O)oc3ccccc32)C1=O
InChIInChI=1S/C21H20N4O5/c1-21(12-11-14-7-3-2-4-8-14)18(27)25(19(28)22-21)23-17(26)13-24-15-9-5-6-10-16(15)30-20(24)29/h2-10H,11-13H2,1H3,(H,22,28)(H,23,26)/t21-/m0/s1
InChIKeyGESUOXPVXOGDLZ-NRFANRHFSA-N
MW408.41 g/mol
LogP1.57
Rot. Bonds6

About N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 31434334) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID31434334
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cn2c(=O)oc3ccccc32)C1=O
InChIInChI=1S/C21H20N4O5/c1-21(12-11-14-7-3-2-4-8-14)18(27)25(19(28)22-21)23-17(26)13-24-15-9-5-6-10-16(15)30-20(24)29/h2-10H,11-13H2,1H3,(H,22,28)(H,23,26)/t21-/m0/s1
InChIKeyGESUOXPVXOGDLZ-NRFANRHFSA-N
XLogP1.57
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
2-(4-benzoylpiperazin-1-yl)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40881853
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 30955896
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 46657706
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40880372
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
2-[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 96538204
2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 71855524
2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 31434334) is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cn2c(=O)oc3ccccc32)C1=O.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is GESUOXPVXOGDLZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-21(12-11-14-7-3-2-4-8-14)18(27)25(19(28)22-21)23-17(26)13-24-15-9-5-6-10-16(15)30-20(24)29/h2-10H,11-13H2,1H3,(H,22,28)(H,23,26)/t21-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 31434334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).