(E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide

C18H17NO — CID 11357517

IUPAC(E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide
SMILESCN(/C=C\c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-
InChIKeyVJGRWRRIAJQNFU-NQDQBVNISA-N
MW263.34 g/mol
LogP3.83
Rot. Bonds4

About (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide

(E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide (PubChem CID 11357517) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide
PubChem CID11357517
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide
SMILESCN(/C=C\c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-
InChIKeyVJGRWRRIAJQNFU-NQDQBVNISA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide (CID 11357517) is (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide is CN(/C=C\c1ccccc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide?
The InChIKey is VJGRWRRIAJQNFU-NQDQBVNISA-N. The full InChI is InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14-.
What are the key properties of (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide?
(E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide is sourced from PubChem (CID 11357517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).