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

C19H21NO2 — CID 2880876

IUPAC3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-22-18-12-8-16(9-13-18)19(21)14-7-15-5-10-17(11-6-15)20(2)3/h5-14H,4H2,1-3H3
InChIKeyPIILXUAHZDRSNN-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.05
Rot. Bonds6

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

3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one (PubChem CID 2880876) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
PubChem CID2880876
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-22-18-12-8-16(9-13-18)19(21)14-7-15-5-10-17(11-6-15)20(2)3/h5-14H,4H2,1-3H3
InChIKeyPIILXUAHZDRSNN-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.05
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

(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
2-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-diethylacetamide
CID 8684769
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704
(E)-1-[4-(2-aminoethoxy)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 102366350
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
3-(4-bromophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880500
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8684788
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 177461738
[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3529372

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one (CID 2880876) is 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one is CCOc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is PIILXUAHZDRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-22-18-12-8-16(9-13-18)19(21)14-7-15-5-10-17(11-6-15)20(2)3/h5-14H,4H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 295.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 2880876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).