N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide

C15H15N3O3 — CID 6871030

IUPACN'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccco1
InChIInChI=1S/C15H15N3O3/c19-14(17-12-5-2-1-3-6-12)8-9-15(20)18-16-11-13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19)(H,18,20)/b16-11+
InChIKeyOEPSQXHEMMARFD-LFIBNONCSA-N
MW285.30 g/mol
LogP2.15
Rot. Bonds6

About N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide

N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide (PubChem CID 6871030) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide
PubChem CID6871030
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccco1
InChIInChI=1S/C15H15N3O3/c19-14(17-12-5-2-1-3-6-12)8-9-15(20)18-16-11-13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19)(H,18,20)/b16-11+
InChIKeyOEPSQXHEMMARFD-LFIBNONCSA-N
XLogP2.15
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide?
The IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide (CID 6871030) is N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide.
What is the SMILES notation for N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide?
The canonical SMILES for N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide is O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccco1.
What is the InChIKey of N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide?
The InChIKey is OEPSQXHEMMARFD-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-12-5-2-1-3-6-12)8-9-15(20)18-16-11-13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19)(H,18,20)/b16-11+.
What are the key properties of N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide?
N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide has a molecular weight of 285.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-furan-2-ylmethylideneamino]-N-phenylbutanediamide is sourced from PubChem (CID 6871030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).