N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide

C15H15N3O5 — CID 6866928

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C15H15N3O5/c1-2-9-22-12-5-3-11(4-6-12)15(19)17-16-10-13-7-8-14(23-13)18(20)21/h3-8,10H,2,9H2,1H3,(H,17,19)/b16-10+
InChIKeyVOQWOGPKYUVUCV-MHWRWJLKSA-N
MW317.30 g/mol
LogP2.74
Rot. Bonds7

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide (PubChem CID 6866928) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide
PubChem CID6866928
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C15H15N3O5/c1-2-9-22-12-5-3-11(4-6-12)15(19)17-16-10-13-7-8-14(23-13)18(20)21/h3-8,10H,2,9H2,1H3,(H,17,19)/b16-10+
InChIKeyVOQWOGPKYUVUCV-MHWRWJLKSA-N
XLogP2.74
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Nifuroxazide
CID 5337997
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
N'-(2-Furylmethylene)-4-methoxybenzohydrazide
CID 7290584
2-(1,3-benzodioxol-5-yl)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 1285782
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5334509
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6867648
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-3-(4-propoxyphenyl)propanehydrazide
CID 9663344
N'-[(E)-(5-nitrofuran-2-yl)methylidene]cyclopentanecarbohydrazide
CID 25237242
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-2-phenoxyacetohydrazide
CID 6322955
N'-[(5-methyl-2-furyl)methylene]-3-nitrobenzohydrazide
CID 6871954
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
4-(cyclopentyloxy)-N'-[(5-methyl-2-furyl)methylene]benzohydrazide
CID 6875095

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide (CID 6866928) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide?
The InChIKey is VOQWOGPKYUVUCV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-2-9-22-12-5-3-11(4-6-12)15(19)17-16-10-13-7-8-14(23-13)18(20)21/h3-8,10H,2,9H2,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide has a molecular weight of 317.30 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 6866928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).