3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

C21H20N2O4 — CID 35672851

IUPAC3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)oc2c1
InChIInChI=1S/C21H20N2O4/c1-11-7-12(2)19-13(3)20(27-17(19)8-11)21(25)22-14-5-6-16-15(9-14)23(4)18(24)10-26-16/h5-9H,10H2,1-4H3,(H,22,25)
InChIKeyFRUXEWGDQMLNBN-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.97
Rot. Bonds2

About 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 35672851) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
PubChem CID35672851
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)oc2c1
InChIInChI=1S/C21H20N2O4/c1-11-7-12(2)19-13(3)20(27-17(19)8-11)21(25)22-14-5-6-16-15(9-14)23(4)18(24)10-26-16/h5-9H,10H2,1-4H3,(H,22,25)
InChIKeyFRUXEWGDQMLNBN-UHFFFAOYSA-N
XLogP3.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 39834920
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
CID 167953016
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35673203
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35672809
1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide
CID 172662132
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 852703

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (CID 35672851) is 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)oc2c1.
What is the InChIKey of 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is FRUXEWGDQMLNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-11-7-12(2)19-13(3)20(27-17(19)8-11)21(25)22-14-5-6-16-15(9-14)23(4)18(24)10-26-16/h5-9H,10H2,1-4H3,(H,22,25).
What are the key properties of 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35672851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).