(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

C20H23NO2 — CID 21324463

IUPAC(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCN(CC)c1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-4-21(5-2)18-11-9-17(10-12-18)20(22)15-8-16-6-13-19(23-3)14-7-16/h6-15H,4-5H2,1-3H3/b15-8+
InChIKeyOKIOQXDGSSNQOX-OVCLIPMQSA-N
MW309.41 g/mol
LogP4.44
Rot. Bonds7

About (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 21324463) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID21324463
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCN(CC)c1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-4-21(5-2)18-11-9-17(10-12-18)20(22)15-8-16-6-13-19(23-3)14-7-16/h6-15H,4-5H2,1-3H3/b15-8+
InChIKeyOKIOQXDGSSNQOX-OVCLIPMQSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727219
(Z)-3-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707390
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8684788
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
(E)-3-[4-(diethylamino)phenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 7594013
(E)-3-[4-(diethylamino)phenyl]-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947842
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
(E)-N-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 100509478
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one (CID 21324463) is (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one is CCN(CC)c1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is OKIOQXDGSSNQOX-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-21(5-2)18-11-9-17(10-12-18)20(22)15-8-16-6-13-19(23-3)14-7-16/h6-15H,4-5H2,1-3H3/b15-8+.
What are the key properties of (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 309.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 21324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).