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

C19H21NO2 — CID 2165464

IUPAC(E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-22-18-12-9-17(10-13-18)11-14-19(21)20-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,20,21)/b14-11+
InChIKeyHYNBHAVCKOHIDZ-SDNWHVSQSA-N
MW295.38 g/mol
LogP3.46
Rot. Bonds7

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

(E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 2165464) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID2165464
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-22-18-12-9-17(10-13-18)11-14-19(21)20-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,20,21)/b14-11+
InChIKeyHYNBHAVCKOHIDZ-SDNWHVSQSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 2165464) is (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is HYNBHAVCKOHIDZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-12-9-17(10-13-18)11-14-19(21)20-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,20,21)/b14-11+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.46, 7 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-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 2165464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).