N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

C27H26N2O3 — CID 4228342

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C27H26N2O3/c1-27(2,3)19-13-14-23(32-4)22(16-19)28-26(31)25(30)24-21(18-10-6-5-7-11-18)17-20-12-8-9-15-29(20)24/h5-17H,1-4H3,(H,28,31)
InChIKeyOPMTUJIWVCSTPT-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.73
Rot. Bonds5

About N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (PubChem CID 4228342) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
PubChem CID4228342
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C27H26N2O3/c1-27(2,3)19-13-14-23(32-4)22(16-19)28-26(31)25(30)24-21(18-10-6-5-7-11-18)17-20-12-8-9-15-29(20)24/h5-17H,1-4H3,(H,28,31)
InChIKeyOPMTUJIWVCSTPT-UHFFFAOYSA-N
XLogP5.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (CID 4228342) is N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The InChIKey is OPMTUJIWVCSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-27(2,3)19-13-14-23(32-4)22(16-19)28-26(31)25(30)24-21(18-10-6-5-7-11-18)17-20-12-8-9-15-29(20)24/h5-17H,1-4H3,(H,28,31).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is sourced from PubChem (CID 4228342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).