(E,4E)-4-benzylidene-N-phenylhex-2-enamide

C19H19NO — CID 44565300

IUPAC(E,4E)-4-benzylidene-N-phenylhex-2-enamide
SMILESCCC(/C=C/C(=O)Nc1ccccc1)=C\c1ccccc1
InChIInChI=1S/C19H19NO/c1-2-16(15-17-9-5-3-6-10-17)13-14-19(21)20-18-11-7-4-8-12-18/h3-15H,2H2,1H3,(H,20,21)/b14-13+,16-15+
InChIKeyUBVLDSPKXGZNJK-ZBMVRHCNSA-N
MW277.37 g/mol
LogP4.67
Rot. Bonds5

About (E,4E)-4-benzylidene-N-phenylhex-2-enamide

(E,4E)-4-benzylidene-N-phenylhex-2-enamide (PubChem CID 44565300) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (E,4E)-4-benzylidene-N-phenylhex-2-enamide.

Molecular Properties

Compound Name(E,4E)-4-benzylidene-N-phenylhex-2-enamide
PubChem CID44565300
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(E,4E)-4-benzylidene-N-phenylhex-2-enamide
SMILESCCC(/C=C/C(=O)Nc1ccccc1)=C\c1ccccc1
InChIInChI=1S/C19H19NO/c1-2-16(15-17-9-5-3-6-10-17)13-14-19(21)20-18-11-7-4-8-12-18/h3-15H,2H2,1H3,(H,20,21)/b14-13+,16-15+
InChIKeyUBVLDSPKXGZNJK-ZBMVRHCNSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
CID 59467578
(Z)-N-phenylbut-2-enamide
CID 59909226
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
ethyl 4-[(4-bromo-5-phenylpenta-2,4-dienoyl)amino]benzoate
CID 3512602
(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
CID 99633361
CID 162324012
CID 162324012
[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
CID 142148330
4-anilino-4-oxobut-2-enoic acid;benzyl(trimethyl)azanium
CID 173448558
(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
4-benzylidene-2-methylhex-2-enoic acid
CID 126650442
N-phenyldec-2-enamide
CID 72974313

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-benzylidene-N-phenylhex-2-enamide?
The IUPAC name of (E,4E)-4-benzylidene-N-phenylhex-2-enamide (CID 44565300) is (E,4E)-4-benzylidene-N-phenylhex-2-enamide.
What is the SMILES notation for (E,4E)-4-benzylidene-N-phenylhex-2-enamide?
The canonical SMILES for (E,4E)-4-benzylidene-N-phenylhex-2-enamide is CCC(/C=C/C(=O)Nc1ccccc1)=C\c1ccccc1.
What is the InChIKey of (E,4E)-4-benzylidene-N-phenylhex-2-enamide?
The InChIKey is UBVLDSPKXGZNJK-ZBMVRHCNSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-16(15-17-9-5-3-6-10-17)13-14-19(21)20-18-11-7-4-8-12-18/h3-15H,2H2,1H3,(H,20,21)/b14-13+,16-15+.
What are the key properties of (E,4E)-4-benzylidene-N-phenylhex-2-enamide?
(E,4E)-4-benzylidene-N-phenylhex-2-enamide has a molecular weight of 277.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-benzylidene-N-phenylhex-2-enamide is sourced from PubChem (CID 44565300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).