N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

C18H22N2O5 — CID 19446298

IUPACN-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C18H22N2O5/c1-2-3-4-7-12-19-18(21)17-11-10-14(25-17)13-24-16-9-6-5-8-15(16)20(22)23/h5-6,8-11H,2-4,7,12-13H2,1H3,(H,19,21)
InChIKeyHELCWOBYBKAVEE-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.08
Rot. Bonds10

About N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19446298) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19446298
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C18H22N2O5/c1-2-3-4-7-12-19-18(21)17-11-10-14(25-17)13-24-16-9-6-5-8-15(16)20(22)23/h5-6,8-11H,2-4,7,12-13H2,1H3,(H,19,21)
InChIKeyHELCWOBYBKAVEE-UHFFFAOYSA-N
XLogP4.08
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19297459
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295432
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5243847
N-hexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 17023112
N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346038

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (CID 19446298) is N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is CCCCCCNC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is HELCWOBYBKAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-3-4-7-12-19-18(21)17-11-10-14(25-17)13-24-16-9-6-5-8-15(16)20(22)23/h5-6,8-11H,2-4,7,12-13H2,1H3,(H,19,21).
What are the key properties of N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).