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

C19H29ClN4O4 — CID 119656734

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(C)(C)CN)C2=O)cc1.Cl
InChIInChI=1S/C19H28N4O4.ClH/c1-18(2,11-20)12-22(4)15(24)10-23-16(25)19(3,21-17(23)26)13-6-8-14(27-5)9-7-13;/h6-9H,10-12,20H2,1-5H3,(H,21,26);1H
InChIKeySXKKVWDRRLADAT-UHFFFAOYSA-N
MW412.92 g/mol
LogP1.33
Rot. Bonds7

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

N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride (PubChem CID 119656734) has the molecular formula C19H29ClN4O4 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
PubChem CID119656734
Molecular FormulaC19H29ClN4O4
Molecular Weight412.92 g/mol
Exact Mass412.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(C)(C)CN)C2=O)cc1.Cl
InChIInChI=1S/C19H28N4O4.ClH/c1-18(2,11-20)12-22(4)15(24)10-23-16(25)19(3,21-17(23)26)13-6-8-14(27-5)9-7-13;/h6-9H,10-12,20H2,1-5H3,(H,21,26);1H
InChIKeySXKKVWDRRLADAT-UHFFFAOYSA-N
XLogP1.33
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119608759
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330580
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42990251
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55385186
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24547671
N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 32762583
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 55329891
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4264243

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride (CID 119656734) is N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(C)(C)CN)C2=O)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride?
The InChIKey is SXKKVWDRRLADAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4.ClH/c1-18(2,11-20)12-22(4)15(24)10-23-16(25)19(3,21-17(23)26)13-6-8-14(27-5)9-7-13;/h6-9H,10-12,20H2,1-5H3,(H,21,26);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119656734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).