(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide

C17H17NO — CID 795855

IUPAC(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)/b12-11+
InChIKeyBOSUEWCVNFFBGV-VAWYXSNFSA-N
MW251.33 g/mol
LogP3.06
Rot. Bonds5

About (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide

(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 795855) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID795855
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)/b12-11+
InChIKeyBOSUEWCVNFFBGV-VAWYXSNFSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide (CID 795855) is (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide is O=C(/C=C/c1ccccc1)NCCc1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is BOSUEWCVNFFBGV-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)/b12-11+.
What are the key properties of (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 795855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).