4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

C17H20N2O4 — CID 109045256

IUPAC4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-10-3-9-18-16(20)13-5-7-14(8-6-13)17(21)19-12-15-4-2-11-23-15/h2,4-8,11H,3,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyHFAYKUJAPILPGA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.98
Rot. Bonds8

About 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (PubChem CID 109045256) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
PubChem CID109045256
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-10-3-9-18-16(20)13-5-7-14(8-6-13)17(21)19-12-15-4-2-11-23-15/h2,4-8,11H,3,9-10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyHFAYKUJAPILPGA-UHFFFAOYSA-N
XLogP1.98
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54818743
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
3-[[[ethylamino-(3-methoxypropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110973969
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206035

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (CID 109045256) is 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The InChIKey is HFAYKUJAPILPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-10-3-9-18-16(20)13-5-7-14(8-6-13)17(21)19-12-15-4-2-11-23-15/h2,4-8,11H,3,9-10,12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).