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

C18H19NO2 — CID 762728

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)9-12-18(20)19-14-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)/b12-9+
InChIKeyMXBUOWQQBCGNFP-FMIVXFBMSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds6

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

(E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 762728) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID762728
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)9-12-18(20)19-14-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)/b12-9+
InChIKeyMXBUOWQQBCGNFP-FMIVXFBMSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (CID 762728) is (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is MXBUOWQQBCGNFP-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)9-12-18(20)19-14-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)/b12-9+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 762728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).