2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide

C23H24N4O4 — CID 126249690

IUPAC2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C23H24N4O4/c1-26(2)17-13-11-16(12-14-17)7-6-9-19-22(29)27(23(30)25-19)15-21(28)24-18-8-4-5-10-20(18)31-3/h4-14H,15H2,1-3H3,(H,24,28)(H,25,30)/b7-6+,19-9+
InChIKeyRUGMTJBFYPIGHK-WDXYTVQDSA-N
MW420.47 g/mol
LogP2.85
Rot. Bonds7

About 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 126249690) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID126249690
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C23H24N4O4/c1-26(2)17-13-11-16(12-14-17)7-6-9-19-22(29)27(23(30)25-19)15-21(28)24-18-8-4-5-10-20(18)31-3/h4-14H,15H2,1-3H3,(H,24,28)(H,25,30)/b7-6+,19-9+
InChIKeyRUGMTJBFYPIGHK-WDXYTVQDSA-N
XLogP2.85
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
2-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126244729
2-[(4E)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126257287
2-[(4E)-2,5-dioxo-4-[(2,4,6-trimethylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238859
2-[(4E)-2,5-dioxo-4-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126236343
N-(2-methoxyphenyl)-2-[(4E)-4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126246862
2-[(4E)-4-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238903
methyl 3-[3-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 126230280
2-[(4E)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126241416
2-[2-ethoxy-4-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126234651
2-[(4E)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126243712

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 126249690) is 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is RUGMTJBFYPIGHK-WDXYTVQDSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-26(2)17-13-11-16(12-14-17)7-6-9-19-22(29)27(23(30)25-19)15-21(28)24-18-8-4-5-10-20(18)31-3/h4-14H,15H2,1-3H3,(H,24,28)(H,25,30)/b7-6+,19-9+.
What are the key properties of 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126249690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).