(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one

C18H19NO2 — CID 15729872

IUPAC(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(/C(=C\N(C)C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+
InChIKeyNHGAYXPAUVRHKI-GHRIWEEISA-N
MW281.36 g/mol
LogP3.48
Rot. Bonds5

About (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one

(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 15729872) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID15729872
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(/C(=C\N(C)C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+
InChIKeyNHGAYXPAUVRHKI-GHRIWEEISA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
(Z)-4-(dimethylamino)-3-(4-methoxyphenyl)but-3-en-2-one
CID 13091149
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(E)-3-(dimethylamino)-2-fluoro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70037826
3-(dimethylamino)-1,2-bis(4-methylphenyl)prop-2-en-1-one
CID 57169439
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(Z)-1-(2-difluoroboranyloxy-4-methoxyphenyl)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-en-1-one
CID 11793849
(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
CID 15272504
4-(dimethylamino)-3-(3-methoxyphenyl)but-3-en-2-one
CID 70412784
[(Z)-1-(dimethylamino)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl] thiocyanate
CID 154722815
3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 74959817

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one (CID 15729872) is (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one is COc1ccc(/C(=C\N(C)C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is NHGAYXPAUVRHKI-GHRIWEEISA-N. The full InChI is InChI=1S/C18H19NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+.
What are the key properties of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one?
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 15729872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).