N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C20H23NO4 — CID 26915649

IUPACN-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1
InChIInChI=1S/C20H23NO4/c1-4-6-15-7-12-18(19(13-15)23-3)25-14-20(22)21-16-8-10-17(11-9-16)24-5-2/h4,7-13H,1,5-6,14H2,2-3H3,(H,21,22)
InChIKeyMDIVLCIABQUZBN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.84
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 26915649) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID26915649
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1
InChIInChI=1S/C20H23NO4/c1-4-6-15-7-12-18(19(13-15)23-3)25-14-20(22)21-16-8-10-17(11-9-16)24-5-2/h4,7-13H,1,5-6,14H2,2-3H3,(H,21,22)
InChIKeyMDIVLCIABQUZBN-UHFFFAOYSA-N
XLogP3.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 26915649) is N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is MDIVLCIABQUZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-6-15-7-12-18(19(13-15)23-3)25-14-20(22)21-16-8-10-17(11-9-16)24-5-2/h4,7-13H,1,5-6,14H2,2-3H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 26915649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).