N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride

C19H29ClN4O4 — CID 119608759

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)NC(C)(CN)C(C)C)C2=O)cc1.Cl
InChIInChI=1S/C19H28N4O4.ClH/c1-12(2)18(3,11-20)21-15(24)10-23-16(25)19(4,22-17(23)26)13-6-8-14(27-5)9-7-13;/h6-9,12H,10-11,20H2,1-5H3,(H,21,24)(H,22,26);1H
InChIKeyNJPSQQLMRNRDAX-UHFFFAOYSA-N
MW412.92 g/mol
LogP1.37
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (PubChem CID 119608759) has the molecular formula C19H29ClN4O4 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
PubChem CID119608759
Molecular FormulaC19H29ClN4O4
Molecular Weight412.92 g/mol
Exact Mass412.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)NC(C)(CN)C(C)C)C2=O)cc1.Cl
InChIInChI=1S/C19H28N4O4.ClH/c1-12(2)18(3,11-20)21-15(24)10-23-16(25)19(4,22-17(23)26)13-6-8-14(27-5)9-7-13;/h6-9,12H,10-11,20H2,1-5H3,(H,21,24)(H,22,26);1H
InChIKeyNJPSQQLMRNRDAX-UHFFFAOYSA-N
XLogP1.37
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40881936
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119943115
N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
CID 119656734
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide;hydrochloride
CID 119606902
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4264243
N-(2-amino-1-cyclopropylethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119617444
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119608170
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (CID 119608759) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is COc1ccc(C2(C)NC(=O)N(CC(=O)NC(C)(CN)C(C)C)C2=O)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The InChIKey is NJPSQQLMRNRDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4.ClH/c1-12(2)18(3,11-20)21-15(24)10-23-16(25)19(4,22-17(23)26)13-6-8-14(27-5)9-7-13;/h6-9,12H,10-11,20H2,1-5H3,(H,21,24)(H,22,26);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119608759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).