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

C19H18N2O4 — CID 151024054

IUPAC1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3ccc(C(N)=O)c(N)c3C(=O)C21
InChIInChI=1S/C19H18N2O4/c1-8(2)9-3-4-10-13(7-9)25-19(24)12-6-5-11(18(21)23)16(20)14(12)17(22)15(10)19/h3-8,15,24H,20H2,1-2H3,(H2,21,23)
InChIKeyLYRGVMCAQZXVQI-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.01
Rot. Bonds2

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

1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide (PubChem CID 151024054) 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-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide
PubChem CID151024054
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3ccc(C(N)=O)c(N)c3C(=O)C21
InChIInChI=1S/C19H18N2O4/c1-8(2)9-3-4-10-13(7-9)25-19(24)12-6-5-11(18(21)23)16(20)14(12)17(22)15(10)19/h3-8,15,24H,20H2,1-2H3,(H2,21,23)
InChIKeyLYRGVMCAQZXVQI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide?
The IUPAC name of 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide (CID 151024054) is 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide.
What is the SMILES notation for 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide?
The canonical SMILES for 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide is CC(C)c1ccc2c(c1)OC1(O)c3ccc(C(N)=O)c(N)c3C(=O)C21.
What is the InChIKey of 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide?
The InChIKey is LYRGVMCAQZXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-8(2)9-3-4-10-13(7-9)25-19(24)12-6-5-11(18(21)23)16(20)14(12)17(22)15(10)19/h3-8,15,24H,20H2,1-2H3,(H2,21,23).
What are the key properties of 1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide?
1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.01, 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-yl-9bH-indeno[1,2-b][1]benzofuran-2-carboxamide is sourced from PubChem (CID 151024054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).