(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide

C16H16N2O3 — CID 6880952

IUPAC(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide
SMILESO=C(N/N=C/c1ccco1)/C(=C/c1ccccc1)CCO
InChIInChI=1S/C16H16N2O3/c19-9-8-14(11-13-5-2-1-3-6-13)16(20)18-17-12-15-7-4-10-21-15/h1-7,10-12,19H,8-9H2,(H,18,20)/b14-11+,17-12+
InChIKeyRBOPTZZZGBZKQP-DMAJYYCCSA-N
MW284.31 g/mol
LogP2.20
Rot. Bonds6

About (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide

(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide (PubChem CID 6880952) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide
PubChem CID6880952
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide
SMILESO=C(N/N=C/c1ccco1)/C(=C/c1ccccc1)CCO
InChIInChI=1S/C16H16N2O3/c19-9-8-14(11-13-5-2-1-3-6-13)16(20)18-17-12-15-7-4-10-21-15/h1-7,10-12,19H,8-9H2,(H,18,20)/b14-11+,17-12+
InChIKeyRBOPTZZZGBZKQP-DMAJYYCCSA-N
XLogP2.20
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 3324934
(2E)-2-benzylidene-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 136841941
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 5341260
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide?
The IUPAC name of (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide (CID 6880952) is (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide.
What is the SMILES notation for (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide?
The canonical SMILES for (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide is O=C(N/N=C/c1ccco1)/C(=C/c1ccccc1)CCO.
What is the InChIKey of (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide?
The InChIKey is RBOPTZZZGBZKQP-DMAJYYCCSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-9-8-14(11-13-5-2-1-3-6-13)16(20)18-17-12-15-7-4-10-21-15/h1-7,10-12,19H,8-9H2,(H,18,20)/b14-11+,17-12+.
What are the key properties of (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide?
(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide has a molecular weight of 284.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide is sourced from PubChem (CID 6880952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).