2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide

C26H23NO5 — CID 2827123

IUPAC2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
SMILESCCOc1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C26H23NO5/c1-3-32-21-14-13-17(15-22(21)31-2)26(16-23(28)27-18-9-5-4-6-10-18)24(29)19-11-7-8-12-20(19)25(26)30/h4-15H,3,16H2,1-2H3,(H,27,28)
InChIKeyNWEVETBELBIZDC-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide

2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide (PubChem CID 2827123) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
PubChem CID2827123
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
SMILESCCOc1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C26H23NO5/c1-3-32-21-14-13-17(15-22(21)31-2)26(16-23(28)27-18-9-5-4-6-10-18)24(29)19-11-7-8-12-20(19)25(26)30/h4-15H,3,16H2,1-2H3,(H,27,28)
InChIKeyNWEVETBELBIZDC-UHFFFAOYSA-N
XLogP4.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(1,3-dioxo-2-phenylinden-2-yl)-N-(4-ethylphenyl)acetamide
CID 131888708
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
(3R)-N-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 41046982
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2989774
2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 27112646
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3945217
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide (CID 2827123) is 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide is CCOc1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1OC.
What is the InChIKey of 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
The InChIKey is NWEVETBELBIZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-3-32-21-14-13-17(15-22(21)31-2)26(16-23(28)27-18-9-5-4-6-10-18)24(29)19-11-7-8-12-20(19)25(26)30/h4-15H,3,16H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide has a molecular weight of 429.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide is sourced from PubChem (CID 2827123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).