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

C21H22N2O4 — CID 90097624

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
SMILESCCC(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12
InChIInChI=1S/C21H22N2O4/c1-4-17(24)23-20-13-9-8-12(11(2)3)10-16(13)27-21(20,26)14-6-5-7-15(22)18(14)19(20)25/h5-11,26H,4,22H2,1-3H3,(H,23,24)
InChIKeyZOCNDKUFPZIRTL-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.55
Rot. Bonds3

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide (PubChem CID 90097624) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
PubChem CID90097624
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
SMILESCCC(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12
InChIInChI=1S/C21H22N2O4/c1-4-17(24)23-20-13-9-8-12(11(2)3)10-16(13)27-21(20,26)14-6-5-7-15(22)18(14)19(20)25/h5-11,26H,4,22H2,1-3H3,(H,23,24)
InChIKeyZOCNDKUFPZIRTL-UHFFFAOYSA-N
XLogP2.55
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.55
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 N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide (CID 90097624) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide is CCC(=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)propanamide?
The InChIKey is ZOCNDKUFPZIRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-17(24)23-20-13-9-8-12(11(2)3)10-16(13)27-21(20,26)14-6-5-7-15(22)18(14)19(20)25/h5-11,26H,4,22H2,1-3H3,(H,23,24).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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)propanamide is sourced from PubChem (CID 90097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).