N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide

C28H27N3O5 — CID 118531338

IUPACN'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12
InChIInChI=1S/C28H27N3O5/c1-14(2)17-11-12-18-21(13-17)36-28(35)19-9-6-10-20(29)22(19)24(32)27(18,28)31-26(34)25(33)30-23-15(3)7-5-8-16(23)4/h5-14,35H,29H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyKLNDGLKWPFSZGN-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.39
Rot. Bonds3

About N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide

N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide (PubChem CID 118531338) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide
PubChem CID118531338
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12
InChIInChI=1S/C28H27N3O5/c1-14(2)17-11-12-18-21(13-17)36-28(35)19-9-6-10-20(29)22(19)24(32)27(18,28)31-26(34)25(33)30-23-15(3)7-5-8-16(23)4/h5-14,35H,29H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyKLNDGLKWPFSZGN-UHFFFAOYSA-N
XLogP3.39
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide (CID 118531338) is N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12.
What is the InChIKey of N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide?
The InChIKey is KLNDGLKWPFSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-14(2)17-11-12-18-21(13-17)36-28(35)19-9-6-10-20(29)22(19)24(32)27(18,28)31-26(34)25(33)30-23-15(3)7-5-8-16(23)4/h5-14,35H,29H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide?
N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide has a molecular weight of 485.54 g/mol, XLogP of 3.39, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 118531338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).