4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one

C18H19NO2 — CID 159016801

IUPAC4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one
SMILESC=C(CN(C)C)C(=O)C(=Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(13-19(2)3)18(20)17(12-16-10-7-11-21-16)15-8-5-4-6-9-15/h4-12H,1,13H2,2-3H3
InChIKeyBBOZBELILPFAAV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.51
Rot. Bonds6

About 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one

4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one (PubChem CID 159016801) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one
PubChem CID159016801
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one
SMILESC=C(CN(C)C)C(=O)C(=Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(13-19(2)3)18(20)17(12-16-10-7-11-21-16)15-8-5-4-6-9-15/h4-12H,1,13H2,2-3H3
InChIKeyBBOZBELILPFAAV-UHFFFAOYSA-N
XLogP3.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-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

(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one;(1E)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one;4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one;(1Z)-4-[(dimethylamino)methyl]-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-one;bis((1E)-4-[(dimethylamino)methyl]-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-one);(1Z)-4-[(dimethylamino)methyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;heptahydrochloride
CID 159016800
(1E)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016803
(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016802
(1Z)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-phenylpenta-1,4-dien-3-one
CID 160883905
(1E)-1-(3-chlorophenyl)-4-[(dimethylamino)methyl]-2-phenylpenta-1,4-dien-3-one
CID 160883901
(1E)-1-(3-bromophenyl)-4-[(dimethylamino)methyl]-2-phenylpenta-1,4-dien-3-one
CID 160784216
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
CID 6389358
(1E)-4-[[benzyl(methyl)amino]methyl]-1,2-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 162328423
(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide
CID 92684194
N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1284903

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one (CID 159016801) is 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one is C=C(CN(C)C)C(=O)C(=Cc1ccco1)c1ccccc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one?
The InChIKey is BBOZBELILPFAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(13-19(2)3)18(20)17(12-16-10-7-11-21-16)15-8-5-4-6-9-15/h4-12H,1,13H2,2-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one?
4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one has a molecular weight of 281.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 159016801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).