N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C28H27N3O4 — CID 126236656

IUPACN-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O
InChIInChI=1S/C28H27N3O4/c1-3-22-9-4-5-10-24(22)29-26(32)17-31-27(33)25(30-28(31)34)16-20-11-13-23(14-12-20)35-18-21-8-6-7-19(2)15-21/h4-16H,3,17-18H2,1-2H3,(H,29,32)(H,30,34)/b25-16+
InChIKeyDRPZSIORGUOXMH-PCLIKHOPSA-N
MW469.54 g/mol
LogP4.67
Rot. Bonds8

About N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126236656) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126236656
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O
InChIInChI=1S/C28H27N3O4/c1-3-22-9-4-5-10-24(22)29-26(32)17-31-27(33)25(30-28(31)34)16-20-11-13-23(14-12-20)35-18-21-8-6-7-19(2)15-21/h4-16H,3,17-18H2,1-2H3,(H,29,32)(H,30,34)/b25-16+
InChIKeyDRPZSIORGUOXMH-PCLIKHOPSA-N
XLogP4.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[(4E)-4-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126234066
N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126244386
4-[[4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126236197
2-[4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126228887
2-[(4E)-4-[[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126240559
N-(2-ethylphenyl)-2-[(4E)-4-[[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126243475
2-[(4E)-4-[[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126239637
2-[(4E)-4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126236347
4-[[4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodophenoxy]methyl]benzoic acid
CID 126245172
2-[(4E)-4-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126225172
3-[[2-chloro-6-ethoxy-4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126244736
2-[(4E)-4-[[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126246042

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126236656) is N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DRPZSIORGUOXMH-PCLIKHOPSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-3-22-9-4-5-10-24(22)29-26(32)17-31-27(33)25(30-28(31)34)16-20-11-13-23(14-12-20)35-18-21-8-6-7-19(2)15-21/h4-16H,3,17-18H2,1-2H3,(H,29,32)(H,30,34)/b25-16+.
What are the key properties of N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(4E)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126236656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).