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

C23H19NO3 — CID 99996652

IUPAC(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-27-19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-5-9-20(21)23(26)18-7-3-2-4-8-18/h2-16H,1H3,(H,24,25)/b16-13+
InChIKeyUFTQRKQYFJHJOG-DTQAZKPQSA-N
MW357.41 g/mol
LogP4.58
Rot. Bonds6

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

(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 99996652) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID99996652
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c1-27-19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-5-9-20(21)23(26)18-7-3-2-4-8-18/h2-16H,1H3,(H,24,25)/b16-13+
InChIKeyUFTQRKQYFJHJOG-DTQAZKPQSA-N
XLogP4.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(2-amino-2-oxoethyl) 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2593504
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
CID 6210684
2-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
CID 4772753
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
2-chloroprop-2-enyl 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 16570152
[2-(dimethylamino)-2-oxoethyl] 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 7982534

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 99996652) is (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is UFTQRKQYFJHJOG-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-5-9-20(21)23(26)18-7-3-2-4-8-18/h2-16H,1H3,(H,24,25)/b16-13+.
What are the key properties of (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 357.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 99996652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).