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

C18H19NO — CID 2187747

IUPAC(E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H19NO/c1-15(14-17-10-6-3-7-11-17)18(20)19-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,19,20)/b15-14+
InChIKeyIMTDZBSTUUVQJV-CCEZHUSRSA-N
MW265.36 g/mol
LogP3.45
Rot. Bonds5

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

(E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 2187747) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID2187747
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H19NO/c1-15(14-17-10-6-3-7-11-17)18(20)19-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,19,20)/b15-14+
InChIKeyIMTDZBSTUUVQJV-CCEZHUSRSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.45
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

N-(2-phenylethyl)acetamide
CID 70143
N-(Phenylmethyl)hexadecanamide
CID 11198769
Acetylamphetamine
CID 26660
Brn 2646116
CID 5281870
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
N-Phenethyl-3-phenyl-acrylamide
CID 795855
N-Benzyloleamide
CID 49865534
N-Benzyl-(9Z,12Z,15Z)-octadecatrienamide
CID 68741582
N-Benzyl-linoleamide
CID 68742556
N-Cyclohexyl-2-phenylacetamide
CID 82500
N-Benzylacrylamide
CID 139428

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide (CID 2187747) is (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is IMTDZBSTUUVQJV-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H19NO/c1-15(14-17-10-6-3-7-11-17)18(20)19-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,19,20)/b15-14+.
What are the key properties of (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
(E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 2187747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).