(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one

C17H19NO3 — CID 71817458

IUPAC(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCOc1cc(N(C)C)ccc1C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C17H19NO3/c1-12-5-7-14(21-12)8-10-16(19)15-9-6-13(18(2)3)11-17(15)20-4/h5-11H,1-4H3/b10-8+
InChIKeyGUIJMAKNFGRUAA-CSKARUKUSA-N
MW285.34 g/mol
LogP3.56
Rot. Bonds5

About (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one

(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 71817458) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID71817458
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCOc1cc(N(C)C)ccc1C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C17H19NO3/c1-12-5-7-14(21-12)8-10-16(19)15-9-6-13(18(2)3)11-17(15)20-4/h5-11H,1-4H3/b10-8+
InChIKeyGUIJMAKNFGRUAA-CSKARUKUSA-N
XLogP3.56
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-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

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one (CID 71817458) is (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one is COc1cc(N(C)C)ccc1C(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is GUIJMAKNFGRUAA-CSKARUKUSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-5-7-14(21-12)8-10-16(19)15-9-6-13(18(2)3)11-17(15)20-4/h5-11H,1-4H3/b10-8+.
What are the key properties of (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one?
(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 285.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 71817458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).