[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

C23H29N4O3+ — CID 9133156

IUPAC[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)C1=O
InChIInChI=1S/C23H28N4O3/c1-4-23(18-13-9-6-10-14-18)21(29)27(22(30)25-23)26-19(28)15-24-20(16(2)3)17-11-7-5-8-12-17/h5-14,16,20,24H,4,15H2,1-3H3,(H,25,30)(H,26,28)/p+1/t20-,23+/m0/s1
InChIKeyPDFMLZMGCSIADA-NZQKXSOJSA-O
MW409.51 g/mol
LogP1.84
Rot. Bonds8

About [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9133156) has the molecular formula C23H29N4O3+ and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
PubChem CID9133156
Molecular FormulaC23H29N4O3+
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)C1=O
InChIInChI=1S/C23H28N4O3/c1-4-23(18-13-9-6-10-14-18)21(29)27(22(30)25-23)26-19(28)15-24-20(16(2)3)17-11-7-5-8-12-17/h5-14,16,20,24H,4,15H2,1-3H3,(H,25,30)(H,26,28)/p+1/t20-,23+/m0/s1
InChIKeyPDFMLZMGCSIADA-NZQKXSOJSA-O
XLogP1.84
TPSA95.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.84
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

[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8992473
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8922679
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132337
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133162
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
N-[1-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55851050
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8922680
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8834313
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106

Frequently Asked Questions

What is the IUPAC name of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (CID 9133156) is [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)C1=O.
What is the InChIKey of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is PDFMLZMGCSIADA-NZQKXSOJSA-O. The full InChI is InChI=1S/C23H28N4O3/c1-4-23(18-13-9-6-10-14-18)21(29)27(22(30)25-23)26-19(28)15-24-20(16(2)3)17-11-7-5-8-12-17/h5-14,16,20,24H,4,15H2,1-3H3,(H,25,30)(H,26,28)/p+1/t20-,23+/m0/s1.
What are the key properties of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 409.51 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9133156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).