2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide

C17H18N2O3 — CID 6212067

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccncc2)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-3-4-13-5-6-15(16(11-13)21-2)22-12-17(20)19-14-7-9-18-10-8-14/h3-11H,12H2,1-2H3,(H,18,19,20)/b4-3+
InChIKeyTUFYQQLDWNKLNW-ONEGZZNKSA-N
MW298.34 g/mol
LogP3.14
Rot. Bonds6

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide (PubChem CID 6212067) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide
PubChem CID6212067
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccncc2)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-3-4-13-5-6-15(16(11-13)21-2)22-12-17(20)19-14-7-9-18-10-8-14/h3-11H,12H2,1-2H3,(H,18,19,20)/b4-3+
InChIKeyTUFYQQLDWNKLNW-ONEGZZNKSA-N
XLogP3.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide (CID 6212067) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide is C/C=C/c1ccc(OCC(=O)Nc2ccncc2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide?
The InChIKey is TUFYQQLDWNKLNW-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-4-13-5-6-15(16(11-13)21-2)22-12-17(20)19-14-7-9-18-10-8-14/h3-11H,12H2,1-2H3,(H,18,19,20)/b4-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide has a molecular weight of 298.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 6212067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).