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

C23H27N3O3 — CID 7170950

IUPACN-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C23H27N3O3/c1-17-9-7-8-12-19(17)15-25(3)20(27)16-26-21(28)23(2,24-22(26)29)14-13-18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3,(H,24,29)/t23-/m0/s1
InChIKeyTUXPZTCRAXIBDQ-QHCPKHFHSA-N
MW393.49 g/mol
LogP2.90
Rot. Bonds7

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

N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 7170950) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID7170950
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C23H27N3O3/c1-17-9-7-8-12-19(17)15-25(3)20(27)16-26-21(28)23(2,24-22(26)29)14-13-18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3,(H,24,29)/t23-/m0/s1
InChIKeyTUXPZTCRAXIBDQ-QHCPKHFHSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 25354920
N-methyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 84601250
N-benzyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7171006
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7596071
N-[(4-ethoxyphenyl)methyl]-2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 55357460
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 24658769
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7240537

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 7170950) is N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O.
What is the InChIKey of N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is TUXPZTCRAXIBDQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-9-7-8-12-19(17)15-25(3)20(27)16-26-21(28)23(2,24-22(26)29)14-13-18-10-5-4-6-11-18/h4-12H,13-16H2,1-3H3,(H,24,29)/t23-/m0/s1.
What are the key properties of N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7170950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).