N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

C17H16N4O4 — CID 3318034

IUPACN-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)NN=Cc1ccco1)OCCO3
InChIInChI=1S/C17H16N4O4/c1-11-19-13-7-15-16(25-6-5-24-15)8-14(13)21(11)10-17(22)20-18-9-12-3-2-4-23-12/h2-4,7-9H,5-6,10H2,1H3,(H,20,22)
InChIKeyHRDSIYJJXAMOBW-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.86
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide (PubChem CID 3318034) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
PubChem CID3318034
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)NN=Cc1ccco1)OCCO3
InChIInChI=1S/C17H16N4O4/c1-11-19-13-7-15-16(25-6-5-24-15)8-14(13)21(11)10-17(22)20-18-9-12-3-2-4-23-12/h2-4,7-9H,5-6,10H2,1H3,(H,20,22)
InChIKeyHRDSIYJJXAMOBW-UHFFFAOYSA-N
XLogP1.86
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475
N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 6880038
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6051167
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064
N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158171
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060754
2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide
CID 82359264
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide (CID 3318034) is N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide is Cc1nc2cc3c(cc2n1CC(=O)NN=Cc1ccco1)OCCO3.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The InChIKey is HRDSIYJJXAMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-11-19-13-7-15-16(25-6-5-24-15)8-14(13)21(11)10-17(22)20-18-9-12-3-2-4-23-12/h2-4,7-9H,5-6,10H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide is sourced from PubChem (CID 3318034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).