ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate

C28H25N3O4 — CID 3317811

IUPACethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)C2CC2(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H25N3O4/c1-2-35-24(32)18-31-23-16-10-9-15-21(23)25(27(31)34)29-30-26(33)22-17-28(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,22,34H,2,17-18H2,1H3/b30-29+
InChIKeyMAJMRWFQXVREGP-QVIHXGFCSA-N
MW467.53 g/mol
LogP5.53
Rot. Bonds7

About ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate

ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate (PubChem CID 3317811) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate
PubChem CID3317811
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC Nameethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)C2CC2(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H25N3O4/c1-2-35-24(32)18-31-23-16-10-9-15-21(23)25(27(31)34)29-30-26(33)22-17-28(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,22,34H,2,17-18H2,1H3/b30-29+
InChIKeyMAJMRWFQXVREGP-QVIHXGFCSA-N
XLogP5.53
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate (CID 3317811) is ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate is CCOC(=O)Cn1c(O)c(/N=N/C(=O)C2CC2(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate?
The InChIKey is MAJMRWFQXVREGP-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-2-35-24(32)18-31-23-16-10-9-15-21(23)25(27(31)34)29-30-26(33)22-17-28(22,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,22,34H,2,17-18H2,1H3/b30-29+.
What are the key properties of ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate?
ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate has a molecular weight of 467.53 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate is sourced from PubChem (CID 3317811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).