2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide

C19H19NO4 — CID 701360

IUPAC2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCC(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H19NO4/c1-10(2)8-9-20-19(23)14-11(3)24-18-15(14)16(21)12-6-4-5-7-13(12)17(18)22/h4-7,10H,8-9H2,1-3H3,(H,20,23)
InChIKeyMAGQAHBJKOFODL-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide

2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide (PubChem CID 701360) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
PubChem CID701360
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCC(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H19NO4/c1-10(2)8-9-20-19(23)14-11(3)24-18-15(14)16(21)12-6-4-5-7-13(12)17(18)22/h4-7,10H,8-9H2,1-3H3,(H,20,23)
InChIKeyMAGQAHBJKOFODL-UHFFFAOYSA-N
XLogP3.14
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide with MolForge

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Related Compounds

2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
CID 18833832
N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 2142312
N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 27307489
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
methyl 2-(chloromethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxylate
CID 118300484
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
2-chloro-N-(3-methylbutyl)benzamide
CID 669760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide (CID 701360) is 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCCC(C)C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
The InChIKey is MAGQAHBJKOFODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-10(2)8-9-20-19(23)14-11(3)24-18-15(14)16(21)12-6-4-5-7-13(12)17(18)22/h4-7,10H,8-9H2,1-3H3,(H,20,23).
What are the key properties of 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide?
2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide is sourced from PubChem (CID 701360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).