2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide

C27H25NO6 — CID 19556804

IUPAC2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C27H25NO6/c1-2-31-25-16-19(8-11-22(29)20-10-13-23-26(17-20)33-15-14-32-23)9-12-24(25)34-18-27(30)28-21-6-4-3-5-7-21/h3-13,16-17H,2,14-15,18H2,1H3,(H,28,30)/b11-8+
InChIKeyJLERXWPCCSOFBB-DHZHZOJOSA-N
MW459.50 g/mol
LogP4.77
Rot. Bonds9

About 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide

2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide (PubChem CID 19556804) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
PubChem CID19556804
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Name2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C27H25NO6/c1-2-31-25-16-19(8-11-22(29)20-10-13-23-26(17-20)33-15-14-32-23)9-12-24(25)34-18-27(30)28-21-6-4-3-5-7-21/h3-13,16-17H,2,14-15,18H2,1H3,(H,28,30)/b11-8+
InChIKeyJLERXWPCCSOFBB-DHZHZOJOSA-N
XLogP4.77
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide 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

3-(3,4-diethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 75920052
2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 4875194
2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N,N-di(propan-2-yl)acetamide
CID 27113250
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 2994045
2-[2-ethoxy-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-phenylacetamide
CID 19567092
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
2-[4-[(E)-3-(1,3-dimethylpyrazol-4-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 19556620
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-phenylacetamide
CID 6489928
2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 3876210
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxy-3-propoxyphenyl)prop-2-en-1-one
CID 6212890
2-[2-ethoxy-4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19560745

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide (CID 19556804) is 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide is CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The InChIKey is JLERXWPCCSOFBB-DHZHZOJOSA-N. The full InChI is InChI=1S/C27H25NO6/c1-2-31-25-16-19(8-11-22(29)20-10-13-23-26(17-20)33-15-14-32-23)9-12-24(25)34-18-27(30)28-21-6-4-3-5-7-21/h3-13,16-17H,2,14-15,18H2,1H3,(H,28,30)/b11-8+.
What are the key properties of 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide?
2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide has a molecular weight of 459.50 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 19556804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).