N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride

C21H25ClN4O3 — CID 119527688

IUPACN-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCC(N)c3ccccc3)C2=O)cc1.Cl
InChIInChI=1S/C21H24N4O3.ClH/c1-14-8-10-16(11-9-14)21(2)19(27)25(20(28)24-21)13-18(26)23-12-17(22)15-6-4-3-5-7-15;/h3-11,17H,12-13,22H2,1-2H3,(H,23,26)(H,24,28);1H
InChIKeyWYARGYMDBOSGJM-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.00
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (PubChem CID 119527688) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
PubChem CID119527688
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC NameN-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCC(N)c3ccccc3)C2=O)cc1.Cl
InChIInChI=1S/C21H24N4O3.ClH/c1-14-8-10-16(11-9-14)21(2)19(27)25(20(28)24-21)13-18(26)23-12-17(22)15-6-4-3-5-7-15;/h3-11,17H,12-13,22H2,1-2H3,(H,23,26)(H,24,28);1H
InChIKeyWYARGYMDBOSGJM-UHFFFAOYSA-N
XLogP2.00
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.00
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-[2-(methylamino)propyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 120831423
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711066
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 2581668
N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51873075
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 18775377
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 92519341
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 92519340
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456306

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (CID 119527688) is N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is Cc1ccc(C2(C)NC(=O)N(CC(=O)NCC(N)c3ccccc3)C2=O)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The InChIKey is WYARGYMDBOSGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.ClH/c1-14-8-10-16(11-9-14)21(2)19(27)25(20(28)24-21)13-18(26)23-12-17(22)15-6-4-3-5-7-15;/h3-11,17H,12-13,22H2,1-2H3,(H,23,26)(H,24,28);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119527688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).