2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C19H17N3O4 — CID 2911575

IUPAC2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C=C3NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C19H17N3O4/c1-12-2-6-14(7-3-12)20-17(23)11-26-15-8-4-13(5-9-15)10-16-18(24)22-19(25)21-16/h2-10H,11H2,1H3,(H,20,23)(H2,21,22,24,25)
InChIKeyIODZIFQAUYLLGK-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 2911575) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID2911575
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C=C3NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C19H17N3O4/c1-12-2-6-14(7-3-12)20-17(23)11-26-15-8-4-13(5-9-15)10-16-18(24)22-19(25)21-16/h2-10H,11H2,1H3,(H,20,23)(H2,21,22,24,25)
InChIKeyIODZIFQAUYLLGK-UHFFFAOYSA-N
XLogP2.19
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
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

2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 53305542
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 1209403
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
2-[4-[[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2917740
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 137079515
2-[4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126234185
N-(4-bromophenyl)-2-[4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 137063871
2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid
CID 91755034
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 2911575) is 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(C=C3NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is IODZIFQAUYLLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-2-6-14(7-3-12)20-17(23)11-26-15-8-4-13(5-9-15)10-16-18(24)22-19(25)21-16/h2-10H,11H2,1H3,(H,20,23)(H2,21,22,24,25).
What are the key properties of 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2911575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).