(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide

C16H17NO2 — CID 110298754

IUPAC(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C16H17NO2/c1-2-14(11-13-7-4-3-5-8-13)16(18)17-12-15-9-6-10-19-15/h3-11H,2,12H2,1H3,(H,17,18)/b14-11+
InChIKeyLRJXJOZOIQFFEY-SDNWHVSQSA-N
MW255.32 g/mol
LogP3.39
Rot. Bonds5

About (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide

(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide (PubChem CID 110298754) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
PubChem CID110298754
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C16H17NO2/c1-2-14(11-13-7-4-3-5-8-13)16(18)17-12-15-9-6-10-19-15/h3-11H,2,12H2,1H3,(H,17,18)/b14-11+
InChIKeyLRJXJOZOIQFFEY-SDNWHVSQSA-N
XLogP3.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670
N-[3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 1100468
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578
2-[(benzylamino)methylidene]-N,N'-bis(furan-2-ylmethyl)propanediamide
CID 21236243
N-[(E)-1-[4-(dimethylamino)phenyl]-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1097351
3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 2922117
methyl 4-[(E)-3-(furan-2-ylmethylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
CID 66986986
N-(furan-2-ylmethyl)acetamide
CID 2394850
(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 19175664
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
CID 124522852
N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599701

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide (CID 110298754) is (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide is CC/C(=C\c1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide?
The InChIKey is LRJXJOZOIQFFEY-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-14(11-13-7-4-3-5-8-13)16(18)17-12-15-9-6-10-19-15/h3-11H,2,12H2,1H3,(H,17,18)/b14-11+.
What are the key properties of (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide?
(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide has a molecular weight of 255.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 110298754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).