(E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C20H23NO4 — CID 14763377

IUPAC(E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2cccc(N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-21(2)16-8-6-7-14(11-16)9-10-17(22)15-12-18(23-3)20(25-5)19(13-15)24-4/h6-13H,1-5H3/b10-9+
InChIKeyKAJXFKRJHRUSBE-MDZDMXLPSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds7

About (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 14763377) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID14763377
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2cccc(N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-21(2)16-8-6-7-14(11-16)9-10-17(22)15-12-18(23-3)20(25-5)19(13-15)24-4/h6-13H,1-5H3/b10-9+
InChIKeyKAJXFKRJHRUSBE-MDZDMXLPSA-N
XLogP3.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
(1E,4E)-1-(4-(dimethylamino)phenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 1854370
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
(E)-3-(3-amino-4-methoxyphenyl)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
CID 87978469

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 14763377) is (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(C(=O)/C=C/c2cccc(N(C)C)c2)cc(OC)c1OC.
What is the InChIKey of (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is KAJXFKRJHRUSBE-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H23NO4/c1-21(2)16-8-6-7-14(11-16)9-10-17(22)15-12-18(23-3)20(25-5)19(13-15)24-4/h6-13H,1-5H3/b10-9+.
What are the key properties of (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 341.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 14763377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).