(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide

C21H22FNO2 — CID 19119949

IUPAC(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C21H22FNO2/c22-19-11-8-18(9-12-19)15-23(16-20-7-4-14-25-20)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2/b13-10+
InChIKeyCGJOLVZIWZWLTJ-JLHYYAGUSA-N
MW339.41 g/mol
LogP4.05
Rot. Bonds6

About (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide

(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 19119949) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
PubChem CID19119949
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C21H22FNO2/c22-19-11-8-18(9-12-19)15-23(16-20-7-4-14-25-20)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2/b13-10+
InChIKeyCGJOLVZIWZWLTJ-JLHYYAGUSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
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)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide (CID 19119949) is (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is CGJOLVZIWZWLTJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-19-11-8-18(9-12-19)15-23(16-20-7-4-14-25-20)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2/b13-10+.
What are the key properties of (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
(E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 339.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 19119949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).