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

C18H19NO — CID 85427861

IUPACN-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESCN(CCc1ccccc1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3
InChIKeyFXOMVQIRHBIDBI-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.40
Rot. Bonds5

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

N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 85427861) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID85427861
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESCN(CCc1ccccc1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3
InChIKeyFXOMVQIRHBIDBI-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide (CID 85427861) is N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide is CN(CCc1ccccc1)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is FXOMVQIRHBIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 85427861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).