N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide

C21H20N2O4 — CID 35673203

IUPACN-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21
InChIInChI=1S/C21H20N2O4/c1-4-23-16-10-14(6-8-17(16)26-11-19(23)24)22-21(25)20-13(3)15-7-5-12(2)9-18(15)27-20/h5-10H,4,11H2,1-3H3,(H,22,25)
InChIKeyBGLAGHODSRBGIC-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.05
Rot. Bonds3

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

N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 35673203) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID35673203
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21
InChIInChI=1S/C21H20N2O4/c1-4-23-16-10-14(6-8-17(16)26-11-19(23)24)22-21(25)20-13(3)15-7-5-12(2)9-18(15)27-20/h5-10H,4,11H2,1-3H3,(H,22,25)
InChIKeyBGLAGHODSRBGIC-UHFFFAOYSA-N
XLogP4.05
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-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
3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 35672851
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
CID 52904693
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
CID 167953016
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35673207
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
N-(4-chloro-3-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18773554
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 118776043
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 35673203) is N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide is CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21.
What is the InChIKey of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is BGLAGHODSRBGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-4-23-16-10-14(6-8-17(16)26-11-19(23)24)22-21(25)20-13(3)15-7-5-12(2)9-18(15)27-20/h5-10H,4,11H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35673203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).