3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide

C24H23NO4 — CID 68913637

IUPAC3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide
SMILESCOc1cccc(OC)c1OC(=C(C)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-17(24(26)25-19-13-8-5-9-14-19)22(18-11-6-4-7-12-18)29-23-20(27-2)15-10-16-21(23)28-3/h4-16H,1-3H3,(H,25,26)
InChIKeyIPYQVSZKCSPBQB-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.15
Rot. Bonds7

About 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide

3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide (PubChem CID 68913637) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide
PubChem CID68913637
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide
SMILESCOc1cccc(OC)c1OC(=C(C)C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-17(24(26)25-19-13-8-5-9-14-19)22(18-11-6-4-7-12-18)29-23-20(27-2)15-10-16-21(23)28-3/h4-16H,1-3H3,(H,25,26)
InChIKeyIPYQVSZKCSPBQB-UHFFFAOYSA-N
XLogP5.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 9448944
(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide
CID 67543894
(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 19183626
N-[(Z)-1-(2,3-dimethoxyphenyl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6528832
acetic acid;N-methoxyaniline
CID 174899473
(E)-2-chloro-3-methyl-N,N'-diphenylbut-2-enediamide
CID 88680256
1-[3-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11188838

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide (CID 68913637) is 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide is COc1cccc(OC)c1OC(=C(C)C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide?
The InChIKey is IPYQVSZKCSPBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(24(26)25-19-13-8-5-9-14-19)22(18-11-6-4-7-12-18)29-23-20(27-2)15-10-16-21(23)28-3/h4-16H,1-3H3,(H,25,26).
What are the key properties of 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide?
3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide has a molecular weight of 389.45 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 68913637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).