2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide

C27H26N2O4 — CID 151454811

IUPAC2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)c(C23C(=O)c4c(N)cccc4C2(O)Oc2cc(C(C)C)ccc23)c(C(N)=O)c1
InChIInChI=1S/C27H26N2O4/c1-13(2)16-8-9-18-21(12-16)33-27(32)19-6-5-7-20(28)22(19)24(30)26(18,27)23-15(4)10-14(3)11-17(23)25(29)31/h5-13,32H,28H2,1-4H3,(H2,29,31)
InChIKeyPHFRAYSPAJYUTG-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.83
Rot. Bonds3

About 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide

2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide (PubChem CID 151454811) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
PubChem CID151454811
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C)c(C23C(=O)c4c(N)cccc4C2(O)Oc2cc(C(C)C)ccc23)c(C(N)=O)c1
InChIInChI=1S/C27H26N2O4/c1-13(2)16-8-9-18-21(12-16)33-27(32)19-6-5-7-20(28)22(19)24(30)26(18,27)23-15(4)10-14(3)11-17(23)25(29)31/h5-13,32H,28H2,1-4H3,(H2,29,31)
InChIKeyPHFRAYSPAJYUTG-UHFFFAOYSA-N
XLogP3.83
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
The IUPAC name of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide (CID 151454811) is 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
The canonical SMILES for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide is Cc1cc(C)c(C23C(=O)c4c(N)cccc4C2(O)Oc2cc(C(C)C)ccc23)c(C(N)=O)c1.
What is the InChIKey of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
The InChIKey is PHFRAYSPAJYUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-13(2)16-8-9-18-21(12-16)33-27(32)19-6-5-7-20(28)22(19)24(30)26(18,27)23-15(4)10-14(3)11-17(23)25(29)31/h5-13,32H,28H2,1-4H3,(H2,29,31).
What are the key properties of 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide?
2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide has a molecular weight of 442.52 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 151454811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).