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

C20H23ClN4O4 — CID 119419114

IUPACN-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1N.Cl
InChIInChI=1S/C20H22N4O4.ClH/c1-12-4-6-13(7-5-12)20(2)18(26)24(19(27)23-20)11-17(25)22-14-8-9-16(28-3)15(21)10-14;/h4-10H,11,21H2,1-3H3,(H,22,25)(H,23,27);1H
InChIKeyRTQZPSANWMIXOO-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.41
Rot. Bonds5

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

N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (PubChem CID 119419114) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
PubChem CID119419114
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1N.Cl
InChIInChI=1S/C20H22N4O4.ClH/c1-12-4-6-13(7-5-12)20(2)18(26)24(19(27)23-20)11-17(25)22-14-8-9-16(28-3)15(21)10-14;/h4-10H,11,21H2,1-3H3,(H,22,25)(H,23,27);1H
InChIKeyRTQZPSANWMIXOO-UHFFFAOYSA-N
XLogP2.41
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119419131
N-(2,5-dimethoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581820
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
2-[4-(2-methoxy-5-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 71915404
N-(2-methoxyphenyl)-4-[[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 51437759
2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 2612679
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18292290
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2620124
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2127023
N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43000350

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride (CID 119419114) is N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is COc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
The InChIKey is RTQZPSANWMIXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4.ClH/c1-12-4-6-13(7-5-12)20(2)18(26)24(19(27)23-20)11-17(25)22-14-8-9-16(28-3)15(21)10-14;/h4-10H,11,21H2,1-3H3,(H,22,25)(H,23,27);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride has a molecular weight of 418.88 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119419114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).