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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Related Compounds

2-Furaldehyde N-phenylsemicarbazone
CID 6894875
2-Furaldehyde, 4-phenylthiosemicarbazone
CID 5717720
N-(3-chloro-2-methylphenyl)-4-[2-(2-furylmethylene)hydrazino]-4-oxobutanamide
CID 6876572
3-(dimethylamino)-N'-(3-furylmethylene)benzohydrazide
CID 6875111
(E)-4-((furan-2-ylmethylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
CID 624533
2-((E)-2-((E)-(furan-2-ylmethylene)hydrazono)-4-oxothiazolidin-5-yl)-N-phenylacetamide
CID 135455157
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
N-(4-Bromophenyl)-4-(2-(2-furylmethylene)hydrazino)-4-oxobutanamide
CID 9595913
(Z)-4-(((furan-2-ylmethyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 887066
N-[(E)-furan-2-ylmethylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 5331394
1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea
CID 5332244
2-anilino-N'-({5-nitro-2-furyl}methylene)acetohydrazide
CID 9564693

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).