2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide

C25H21NO3 — CID 131888708

IUPAC2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H21NO3/c1-2-17-12-14-19(15-13-17)26-22(27)16-25(18-8-4-3-5-9-18)23(28)20-10-6-7-11-21(20)24(25)29/h3-15H,2,16H2,1H3,(H,26,27)
InChIKeyOZSGCSMBZVZLSO-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.59
Rot. Bonds5

About 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide

2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 131888708) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide
PubChem CID131888708
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H21NO3/c1-2-17-12-14-19(15-13-17)26-22(27)16-25(18-8-4-3-5-9-18)23(28)20-10-6-7-11-21(20)24(25)29/h3-15H,2,16H2,1H3,(H,26,27)
InChIKeyOZSGCSMBZVZLSO-UHFFFAOYSA-N
XLogP4.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
CID 2827123
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144238
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide (CID 131888708) is 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is OZSGCSMBZVZLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-2-17-12-14-19(15-13-17)26-22(27)16-25(18-8-4-3-5-9-18)23(28)20-10-6-7-11-21(20)24(25)29/h3-15H,2,16H2,1H3,(H,26,27).
What are the key properties of 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide?
2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 131888708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).