N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide

C18H18N2O2 — CID 2822968

IUPACN-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide
SMILESCCCCC#Cc1ccc(C(=O)NN=Cc2ccccc2)o1
InChIInChI=1S/C18H18N2O2/c1-2-3-4-8-11-16-12-13-17(22-16)18(21)20-19-14-15-9-6-5-7-10-15/h5-7,9-10,12-14H,2-4H2,1H3,(H,20,21)
InChIKeySYELCYDXNBTEET-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.59
Rot. Bonds5

About N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide

N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide (PubChem CID 2822968) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide
PubChem CID2822968
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide
SMILESCCCCC#Cc1ccc(C(=O)NN=Cc2ccccc2)o1
InChIInChI=1S/C18H18N2O2/c1-2-3-4-8-11-16-12-13-17(22-16)18(21)20-19-14-15-9-6-5-7-10-15/h5-7,9-10,12-14H,2-4H2,1H3,(H,20,21)
InChIKeySYELCYDXNBTEET-UHFFFAOYSA-N
XLogP3.59
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-phenylmethylidene]furan-2-carbohydrazide
CID 6869164
N'-[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]furan-2-carbohydrazide
CID 6861696
N-[(E)-(4-methylphenyl)methylideneamino]furan-2-carboxamide
CID 6870919
N'-[(1E,2Z)-3-(2-methoxyphenyl)prop-2-enylidene]-2-furohydrazide
CID 6878929
(E)-N'-(4-(benzyloxy)benzylidene)furan-2-carbohydrazide
CID 6880344
N'-[(1E,2E)-2-bromo-3-phenylprop-2-en-1-ylidene]furan-2-carbohydrazide
CID 6870669
N'-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-2-furohydrazide
CID 9613794
5-bromo-N'-(1-phenylpentylidene)-2-furohydrazide
CID 9632133
4-(cyclopentyloxy)-N'-[(5-methyl-2-furyl)methylene]benzohydrazide
CID 6875095
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide
CID 6878930
N'-[(E)-(2-hydroxyphenyl)methylidene]furan-2-carbohydrazide
CID 135479643
N'-(2-chloro-3-phenyl-2-propen-1-ylidene)-2-furohydrazide
CID 6861697

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide?
The IUPAC name of N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide (CID 2822968) is N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide.
What is the SMILES notation for N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide?
The canonical SMILES for N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide is CCCCC#Cc1ccc(C(=O)NN=Cc2ccccc2)o1.
What is the InChIKey of N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide?
The InChIKey is SYELCYDXNBTEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-3-4-8-11-16-12-13-17(22-16)18(21)20-19-14-15-9-6-5-7-10-15/h5-7,9-10,12-14H,2-4H2,1H3,(H,20,21).
What are the key properties of N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide?
N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-5-hex-1-ynylfuran-2-carboxamide is sourced from PubChem (CID 2822968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).