1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

C19H19NO2 — CID 54081222

IUPAC1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
SMILESCC(=O)c1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)16-7-9-17(10-8-16)19(22)13-6-15-4-11-18(12-5-15)20(2)3/h4-13H,1-3H3
InChIKeyMNGHUZFOUJIGMM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.85
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one (PubChem CID 54081222) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
PubChem CID54081222
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
SMILESCC(=O)c1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(21)16-7-9-17(10-8-16)19(22)13-6-15-4-11-18(12-5-15)20(2)3/h4-13H,1-3H3
InChIKeyMNGHUZFOUJIGMM-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880876
3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704
3-(4-acetylphenyl)-1-(1-hydroxypyridin-1-ium-4-yl)prop-2-en-1-one
CID 126959225
(E)-1-(6-bromo-3-pyridinyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 86647091
(E)-1-[4-(2-aminoethoxy)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 102366350
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-1-(3,5-dibromo-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 11487096
(E)-3-[4-(dimethylamino)phenyl]-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 7954637
2-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-diethylacetamide
CID 8684769

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
The IUPAC name of 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one (CID 54081222) is 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is CC(=O)c1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
The InChIKey is MNGHUZFOUJIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(21)16-7-9-17(10-8-16)19(22)13-6-15-4-11-18(12-5-15)20(2)3/h4-13H,1-3H3.
What are the key properties of 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 54081222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).