N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide

C14H13N3O4 — CID 913455

IUPACN-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H13N3O4/c18-13(8-6-11-4-2-1-3-5-11)16-15-10-12-7-9-14(21-12)17(19)20/h1-5,7,9-10H,6,8H2,(H,16,18)
InChIKeyBZCDZLXUVDLXPE-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.27
Rot. Bonds6

About N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide

N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 913455) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
PubChem CID913455
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H13N3O4/c18-13(8-6-11-4-2-1-3-5-11)16-15-10-12-7-9-14(21-12)17(19)20/h1-5,7,9-10H,6,8H2,(H,16,18)
InChIKeyBZCDZLXUVDLXPE-UHFFFAOYSA-N
XLogP2.27
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
N-(2,5-dimethylphenyl)-N'-[(5-nitrofuran-2-yl)methylideneamino]butanediamide
CID 3289301
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 171979033
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6910728
N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide
CID 5063420
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
ethyl N-[(1S)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 126007169
1-benzyl-5-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-oxidoimidazol-3-ium-4-carboxamide
CID 71699206

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide (CID 913455) is N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is BZCDZLXUVDLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(8-6-11-4-2-1-3-5-11)16-15-10-12-7-9-14(21-12)17(19)20/h1-5,7,9-10H,6,8H2,(H,16,18).
What are the key properties of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide?
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 287.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 913455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).