(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide

C23H28FNO — CID 66486366

IUPAC(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide
SMILESCCC(CC)N(Cc1ccc(F)cc1)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C23H28FNO/c1-3-22(4-2)25(18-20-14-16-21(24)17-15-20)23(26)13-9-8-12-19-10-6-5-7-11-19/h5-8,10-12,14-17,22H,3-4,9,13,18H2,1-2H3/b12-8+
InChIKeyZFPGDIDOKCCXJG-XYOKQWHBSA-N
MW353.48 g/mol
LogP5.84
Rot. Bonds9

About (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide

(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide (PubChem CID 66486366) has the molecular formula C23H28FNO and a molecular weight of 353.48 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide
PubChem CID66486366
Molecular FormulaC23H28FNO
Molecular Weight353.48 g/mol
Exact Mass353.22
IUPAC Name(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide
SMILESCCC(CC)N(Cc1ccc(F)cc1)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C23H28FNO/c1-3-22(4-2)25(18-20-14-16-21(24)17-15-20)23(26)13-9-8-12-19-10-6-5-7-11-19/h5-8,10-12,14-17,22H,3-4,9,13,18H2,1-2H3/b12-8+
InChIKeyZFPGDIDOKCCXJG-XYOKQWHBSA-N
XLogP5.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(1-hydroxybutan-2-yl)-4-oxopentanamide
CID 46994143
(E)-N-ethyl-5-phenyl-N-(1-phenylethyl)pent-4-enamide
CID 66486378
5-[benzyl(pentan-3-yl)amino]-2,2-dimethyl-5-oxopentanoic acid
CID 141420247
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
(E)-5-phenylpent-4-enoic acid
CID 5370650
(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 75407643
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 100709483
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
1-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylurea
CID 108907948
(2R)-2-[(4-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylbutanamide
CID 100577478
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide?
The IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide (CID 66486366) is (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide is CCC(CC)N(Cc1ccc(F)cc1)C(=O)CC/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide?
The InChIKey is ZFPGDIDOKCCXJG-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H28FNO/c1-3-22(4-2)25(18-20-14-16-21(24)17-15-20)23(26)13-9-8-12-19-10-6-5-7-11-19/h5-8,10-12,14-17,22H,3-4,9,13,18H2,1-2H3/b12-8+.
What are the key properties of (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide?
(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide has a molecular weight of 353.48 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide is sourced from PubChem (CID 66486366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).