(E)-N-benzyl-3-phenylprop-2-enamide

C16H15NO — CID 910211

IUPAC(E)-N-benzyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H15NO/c18-16(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-12H,13H2,(H,17,18)/b12-11+
InChIKeyMPWRITRYGLHZBT-VAWYXSNFSA-N
MW237.30 g/mol
LogP3.02
Rot. Bonds4

About (E)-N-benzyl-3-phenylprop-2-enamide

(E)-N-benzyl-3-phenylprop-2-enamide (PubChem CID 910211) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-N-benzyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-phenylprop-2-enamide
PubChem CID910211
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(E)-N-benzyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H15NO/c18-16(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-12H,13H2,(H,17,18)/b12-11+
InChIKeyMPWRITRYGLHZBT-VAWYXSNFSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 10391
CID 10391
CID 70143
CID 70143
CID 71475145
CID 71475145
CID 25354
CID 25354
CID 11959
CID 11959
CID 76024
CID 76024
CID 5281870
CID 5281870
CID 74204
CID 74204
CID 73878
CID 73878
CID 723105
CID 723105
CID 795855
CID 795855
CID 10065496
CID 10065496

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-phenylprop-2-enamide (CID 910211) is (E)-N-benzyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-phenylprop-2-enamide?
The InChIKey is MPWRITRYGLHZBT-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-12H,13H2,(H,17,18)/b12-11+.
What are the key properties of (E)-N-benzyl-3-phenylprop-2-enamide?
(E)-N-benzyl-3-phenylprop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-phenylprop-2-enamide is sourced from PubChem (CID 910211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).