[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

C24H31N4O3+ — CID 9133162

IUPAC[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-17(2)21(19-12-8-5-9-13-19)25-16-20(29)27-28-22(30)24(3,26-23(28)31)15-14-18-10-6-4-7-11-18/h4-13,17,21,25H,14-16H2,1-3H3,(H,26,31)(H,27,29)/p+1/t21-,24-/m0/s1
InChIKeyWAYLVOHMWUTLPH-URXFXBBRSA-O
MW423.54 g/mol
LogP1.92
Rot. Bonds9

About [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9133162) has the molecular formula C24H31N4O3+ and a molecular weight of 423.54 g/mol. Its IUPAC name is [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
PubChem CID9133162
Molecular FormulaC24H31N4O3+
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC Name[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-17(2)21(19-12-8-5-9-13-19)25-16-20(29)27-28-22(30)24(3,26-23(28)31)15-14-18-10-6-4-7-11-18/h4-13,17,21,25H,14-16H2,1-3H3,(H,26,31)(H,27,29)/p+1/t21-,24-/m0/s1
InChIKeyWAYLVOHMWUTLPH-URXFXBBRSA-O
XLogP1.92
TPSA95.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132337
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133156
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8992473
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 18088774
2-(4-benzoylpiperazin-1-yl)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40881853
2-[ethyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8793001
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580961
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250

Frequently Asked Questions

What is the IUPAC name of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (CID 9133162) is [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is WAYLVOHMWUTLPH-URXFXBBRSA-O. The full InChI is InChI=1S/C24H30N4O3/c1-17(2)21(19-12-8-5-9-13-19)25-16-20(29)27-28-22(30)24(3,26-23(28)31)15-14-18-10-6-4-7-11-18/h4-13,17,21,25H,14-16H2,1-3H3,(H,26,31)(H,27,29)/p+1/t21-,24-/m0/s1.
What are the key properties of [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 423.54 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).