(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one

C20H19NO2 — CID 11243667

IUPAC(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one
SMILESCc1ccc2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)oc2c1
InChIInChI=1S/C20H19NO2/c1-14-4-8-16-13-20(23-19(16)12-14)18(22)11-7-15-5-9-17(10-6-15)21(2)3/h4-13H,1-3H3/b11-7+
InChIKeyUKBXPUZODLMVLQ-YRNVUSSQSA-N
MW305.38 g/mol
LogP4.70
Rot. Bonds4

About (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one

(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one (PubChem CID 11243667) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one
PubChem CID11243667
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one
SMILESCc1ccc2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)oc2c1
InChIInChI=1S/C20H19NO2/c1-14-4-8-16-13-20(23-19(16)12-14)18(22)11-7-15-5-9-17(10-6-15)21(2)3/h4-13H,1-3H3/b11-7+
InChIKeyUKBXPUZODLMVLQ-YRNVUSSQSA-N
XLogP4.70
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.70
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'}

Analyze (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-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

(E)-1-benzo[e][1]benzofuran-2-yl-3-(4-methylphenyl)prop-2-en-1-one
CID 139233689
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
1-(1-benzofuran-2-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
CID 3972941
3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
(E)-3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one
CID 8727391
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
(E)-1-(2,4-dihydroxy-3,5-diiodophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 11731191
5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-6-methoxy-1,3-benzoxathiol-2-one
CID 16724847
1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 3907215
(E)-1-(3,5-dibromo-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 11487096

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one (CID 11243667) is (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one is Cc1ccc2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)oc2c1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one?
The InChIKey is UKBXPUZODLMVLQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-4-8-16-13-20(23-19(16)12-14)18(22)11-7-15-5-9-17(10-6-15)21(2)3/h4-13H,1-3H3/b11-7+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one?
(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one has a molecular weight of 305.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 11243667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).