4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C18H19N3O4 — CID 47887275

IUPAC4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)o1
InChIInChI=1S/C18H19N3O4/c1-11-3-8-15(25-11)12(2)19-18(24)13-4-6-14(7-5-13)21-17(23)10-9-16(22)20-21/h3-8,12H,9-10H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyXNCIVUVUFRGOON-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.24
Rot. Bonds4

About 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 47887275) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID47887275
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)o1
InChIInChI=1S/C18H19N3O4/c1-11-3-8-15(25-11)12(2)19-18(24)13-4-6-14(7-5-13)21-17(23)10-9-16(22)20-21/h3-8,12H,9-10H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyXNCIVUVUFRGOON-UHFFFAOYSA-N
XLogP2.24
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione
CID 164909792
N-(1-aminohexan-2-yl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
CID 119666174
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 75401880
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
CID 94679161
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
4-(tert-butylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51314571
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 47887275) is 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)o1.
What is the InChIKey of 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is XNCIVUVUFRGOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-3-8-15(25-11)12(2)19-18(24)13-4-6-14(7-5-13)21-17(23)10-9-16(22)20-21/h3-8,12H,9-10H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dioxodiazinan-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 47887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).