4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate

C23H29NO5 — CID 144988653

IUPAC4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate
SMILESC=C(C)c1ccc(OCC)c(NC(=O)c2ccc(OCC)c(C)c2)c1.COC=O
InChIInChI=1S/C21H25NO3.C2H4O2/c1-6-24-19-10-9-17(12-15(19)5)21(23)22-18-13-16(14(3)4)8-11-20(18)25-7-2;1-4-2-3/h8-13H,3,6-7H2,1-2,4-5H3,(H,22,23);2H,1H3
InChIKeyWGTNKAPYPBBMTH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.87
Rot. Bonds8

About 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate

4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate (PubChem CID 144988653) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate
PubChem CID144988653
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate
SMILESC=C(C)c1ccc(OCC)c(NC(=O)c2ccc(OCC)c(C)c2)c1.COC=O
InChIInChI=1S/C21H25NO3.C2H4O2/c1-6-24-19-10-9-17(12-15(19)5)21(23)22-18-13-16(14(3)4)8-11-20(18)25-7-2;1-4-2-3/h8-13H,3,6-7H2,1-2,4-5H3,(H,22,23);2H,1H3
InChIKeyWGTNKAPYPBBMTH-UHFFFAOYSA-N
XLogP4.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate?
The IUPAC name of 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate (CID 144988653) is 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate.
What is the SMILES notation for 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate?
The canonical SMILES for 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate is C=C(C)c1ccc(OCC)c(NC(=O)c2ccc(OCC)c(C)c2)c1.COC=O.
What is the InChIKey of 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate?
The InChIKey is WGTNKAPYPBBMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.C2H4O2/c1-6-24-19-10-9-17(12-15(19)5)21(23)22-18-13-16(14(3)4)8-11-20(18)25-7-2;1-4-2-3/h8-13H,3,6-7H2,1-2,4-5H3,(H,22,23);2H,1H3.
What are the key properties of 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate?
4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate has a molecular weight of 399.49 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate is sourced from PubChem (CID 144988653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).