N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide

C17H18N2O4 — CID 126421517

IUPACN-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)o1
InChIInChI=1S/C17H18N2O4/c1-4-11-6-8-14(22-11)15(20)18-10-5-7-13-12(9-10)19-16(21)17(2,3)23-13/h5-9H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWHFJSCUDQZVBCA-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.20
Rot. Bonds3

About N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide

N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide (PubChem CID 126421517) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide
PubChem CID126421517
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)o1
InChIInChI=1S/C17H18N2O4/c1-4-11-6-8-14(22-11)15(20)18-10-5-7-13-12(9-10)19-16(21)17(2,3)23-13/h5-9H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWHFJSCUDQZVBCA-UHFFFAOYSA-N
XLogP3.20
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide
CID 126421212
2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetic acid
CID 117341832
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
1-benzyl-N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-methyltriazole-4-carboxamide
CID 126421350
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
dimethyl (E)-2-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]but-2-enedioate
CID 168570589
6-(2-aminoethylamino)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 118559373
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
2-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56730180
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9146393

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide (CID 126421517) is N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)o1.
What is the InChIKey of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide?
The InChIKey is WHFJSCUDQZVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-11-6-8-14(22-11)15(20)18-10-5-7-13-12(9-10)19-16(21)17(2,3)23-13/h5-9H,4H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide?
N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 126421517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).