1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide

C19H18N2O4 — CID 134238258

IUPAC1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21C(N)=O
InChIInChI=1S/C19H18N2O4/c1-9(2)10-6-7-11-14(8-10)25-19(24)12-4-3-5-13(20)15(12)16(22)18(11,19)17(21)23/h3-9,24H,20H2,1-2H3,(H2,21,23)
InChIKeySKBHWEUDDKZXFA-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.55
Rot. Bonds2

About 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide

1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide (PubChem CID 134238258) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide.

Molecular Properties

Compound Name1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide
PubChem CID134238258
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21C(N)=O
InChIInChI=1S/C19H18N2O4/c1-9(2)10-6-7-11-14(8-10)25-19(24)12-4-3-5-13(20)15(12)16(22)18(11,19)17(21)23/h3-9,24H,20H2,1-2H3,(H2,21,23)
InChIKeySKBHWEUDDKZXFA-UHFFFAOYSA-N
XLogP1.55
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-indeno[1,2-b]benzofuran-9b-yl)-2,2,2-tri fluoroacetamide
CID 71487806
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)-1,1,1-trifluoromethanesulfonamide
CID 71487807
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2,2-difluoroacetamide
CID 71488145
N-(1-Amino-4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)-2-fluoroacetamide
CID 86716939
2-fluoro-N-(4b-hydroxy-7-isopropyl-1-nitro-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)acetamide
CID 86716940
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide
CID 90132860
[4b-Hydroxy-10-oxo-7-propan-2-yl-9b-[(2,2,2-trifluoroacetyl)amino]indeno[1,2-b][1]benzofuran-1-yl]azanium
CID 144492093
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-(4-fluorophenyl)acetamide
CID 153253236
Acetamide;1-amino-7-(trifluoromethyl)-4b,9b-dihydroindeno[1,2-b][1]benzofuran-10-one
CID 156895583
N-[1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]-N-methylacetamide
CID 156895588
N-[(4bS,9bS)-1-amino-4b-hydroxy-10-oxo-7-(trifluoromethyl)indeno[1,2-b][1]benzofuran-9b-yl]acetamide
CID 156895589
acetamide;2-amino-6-[2-hydroxy-3-methyl-6-(trifluoromethyl)-3H-1-benzofuran-2-yl]benzaldehyde
CID 156895607

Frequently Asked Questions

What is the IUPAC name of 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide?
The IUPAC name of 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide (CID 134238258) is 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide.
What is the SMILES notation for 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide?
The canonical SMILES for 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21C(N)=O.
What is the InChIKey of 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide?
The InChIKey is SKBHWEUDDKZXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-9(2)10-6-7-11-14(8-10)25-19(24)12-4-3-5-13(20)15(12)16(22)18(11,19)17(21)23/h3-9,24H,20H2,1-2H3,(H2,21,23).
What are the key properties of 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide?
1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-carboxamide is sourced from PubChem (CID 134238258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).