N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C26H28N4O3 — CID 25498107

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc12
InChIInChI=1S/C26H28N4O3/c1-18(21-14-8-12-20-11-6-7-13-22(20)21)27-17-23(31)29-30-24(32)26(2,28-25(30)33)16-15-19-9-4-3-5-10-19/h3-14,18,27H,15-17H2,1-2H3,(H,28,33)(H,29,31)/t18-,26-/m0/s1
InChIKeyOQHPSRZVKNNESK-QYBDOPJKSA-N
MW444.54 g/mol
LogP3.46
Rot. Bonds8

About N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 25498107) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID25498107
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc12
InChIInChI=1S/C26H28N4O3/c1-18(21-14-8-12-20-11-6-7-13-22(20)21)27-17-23(31)29-30-24(32)26(2,28-25(30)33)16-15-19-9-4-3-5-10-19/h3-14,18,27H,15-17H2,1-2H3,(H,28,33)(H,29,31)/t18-,26-/m0/s1
InChIKeyOQHPSRZVKNNESK-QYBDOPJKSA-N
XLogP3.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
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-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242
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-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133162
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indazole-3-carboxamide
CID 31438081
4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 55438287
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598407
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598410

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 25498107) is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc12.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is OQHPSRZVKNNESK-QYBDOPJKSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(21-14-8-12-20-11-6-7-13-22(20)21)27-17-23(31)29-30-24(32)26(2,28-25(30)33)16-15-19-9-4-3-5-10-19/h3-14,18,27H,15-17H2,1-2H3,(H,28,33)(H,29,31)/t18-,26-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 444.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 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-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 25498107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).