1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one

C19H19NO2 — CID 3136160

IUPAC1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=CNCC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-2-15-8-10-17(11-9-15)18(21)12-13-20-14-19(22)16-6-4-3-5-7-16/h3-13,20H,2,14H2,1H3
InChIKeyBCUUFBMXDBBGJH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.42
Rot. Bonds7

About 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one

1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one (PubChem CID 3136160) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one
PubChem CID3136160
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one
SMILESCCc1ccc(C(=O)C=CNCC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-2-15-8-10-17(11-9-15)18(21)12-13-20-14-19(22)16-6-4-3-5-7-16/h3-13,20H,2,14H2,1H3
InChIKeyBCUUFBMXDBBGJH-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.42
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

4-[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 890469
(E)-3-(2-methylpropylamino)-1-phenylprop-2-en-1-one
CID 23591201
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
CID 121009504
methyl 4-[[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 98670386
(Z)-1-(4-ethylphenyl)-3-[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 92858259
ethylbenzene;1-phenylprop-2-en-1-one
CID 174476898
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
1-(4-ethylphenyl)-3-(4-fluoro-3-methylanilino)prop-2-en-1-one
CID 3564341
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101293
3-(4-ethylanilino)-1-phenylpropan-1-one
CID 17383220

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one (CID 3136160) is 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one is CCc1ccc(C(=O)C=CNCC(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one?
The InChIKey is BCUUFBMXDBBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-15-8-10-17(11-9-15)18(21)12-13-20-14-19(22)16-6-4-3-5-7-16/h3-13,20H,2,14H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one?
1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(phenacylamino)prop-2-en-1-one is sourced from PubChem (CID 3136160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).