3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one

C23H29NO6 — CID 173208806

IUPAC3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=C(C)C(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1N(C)C
InChIInChI=1S/C23H29NO6/c1-14(11-15-9-10-18(26-4)17(12-15)24(2)3)20(25)16-13-19(27-5)22(29-7)23(30-8)21(16)28-6/h9-13H,1-8H3
InChIKeyBXZKICIBZBPFLE-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.08
Rot. Bonds9

About 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one

3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one (PubChem CID 173208806) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
PubChem CID173208806
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=C(C)C(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1N(C)C
InChIInChI=1S/C23H29NO6/c1-14(11-15-9-10-18(26-4)17(12-15)24(2)3)20(25)16-13-19(27-5)22(29-7)23(30-8)21(16)28-6/h9-13H,1-8H3
InChIKeyBXZKICIBZBPFLE-UHFFFAOYSA-N
XLogP4.08
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[3-(dimethylamino)-4-methoxyphenyl]-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 173226549
3-[4-amino-3-(dimethylamino)phenyl]-2-chloro-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 173218499
3-(4-amino-3-methoxyphenyl)-2-bromo-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
CID 173208856
2-bromo-3-[3-(dimethylamino)-4-ethoxyphenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 173208501
3-[4-(dimethylamino)phenyl]-2-methyl-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one;3-[4-(dimethylamino)phenyl]-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 161398209
1-[3-amino-4-(dimethylamino)phenyl]-2-methyl-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
CID 91423336
2-bromo-1-[3-(dimethylamino)-4-methoxyphenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 91265827
2-chloro-3-[3-(dimethylamino)-4-ethoxyphenyl]-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 173226487
ethane;(E)-2-methyl-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 142226806
2-[(3-amino-4-ethoxyphenyl)methylidene]-3-methyl-1-(2,3,4,5-tetramethoxyphenyl)butan-1-one
CID 173218308
(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
CID 75360951
2-bromo-3-[4-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 72739034

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one (CID 173208806) is 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one is COc1ccc(C=C(C)C(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one?
The InChIKey is BXZKICIBZBPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-14(11-15-9-10-18(26-4)17(12-15)24(2)3)20(25)16-13-19(27-5)22(29-7)23(30-8)21(16)28-6/h9-13H,1-8H3.
What are the key properties of 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one?
3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one has a molecular weight of 415.49 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methoxyphenyl]-2-methyl-1-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 173208806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).