(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide

C18H19NO3 — CID 11380951

IUPAC(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1O
InChIInChI=1S/C18H19NO3/c1-22-17-9-7-15(13-16(17)20)8-10-18(21)19-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,21)/b10-8+
InChIKeyATSUEBMMIJWARK-CSKARUKUSA-N
MW297.35 g/mol
LogP2.77
Rot. Bonds6

About (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide

(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 11380951) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID11380951
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1O
InChIInChI=1S/C18H19NO3/c1-22-17-9-7-15(13-16(17)20)8-10-18(21)19-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,21)/b10-8+
InChIKeyATSUEBMMIJWARK-CSKARUKUSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (CID 11380951) is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1O.
What is the InChIKey of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is ATSUEBMMIJWARK-CSKARUKUSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-17-9-7-15(13-16(17)20)8-10-18(21)19-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,19,21)/b10-8+.
What are the key properties of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 11380951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).