N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide

C15H14N2O5 — CID 3154022

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O5/c18-14(16-9-11-2-1-5-20-11)15(19)17-10-3-4-12-13(8-10)22-7-6-21-12/h1-5,8H,6-7,9H2,(H,16,18)(H,17,19)
InChIKeyGTBSEHMAIQDDNZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.31
Rot. Bonds3

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 3154022) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
PubChem CID3154022
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O5/c18-14(16-9-11-2-1-5-20-11)15(19)17-10-3-4-12-13(8-10)22-7-6-21-12/h1-5,8H,6-7,9H2,(H,16,18)(H,17,19)
InChIKeyGTBSEHMAIQDDNZ-UHFFFAOYSA-N
XLogP1.31
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 124670159
N-(furan-2-ylmethyl)-N'-(1H-indol-6-yl)oxamide
CID 39336216
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231602
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
CID 108996348
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303559
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177
(2R)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 33370303
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide (CID 3154022) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is GTBSEHMAIQDDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-14(16-9-11-2-1-5-20-11)15(19)17-10-3-4-12-13(8-10)22-7-6-21-12/h1-5,8H,6-7,9H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 302.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 3154022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).