2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide

C18H20N4O2 — CID 4317247

IUPAC2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C18H20N4O2/c1-3-10-22(11-4-2)14-17(23)21-15-6-5-7-16(12-15)24-18-13-19-8-9-20-18/h3-9,12-13H,1-2,10-11,14H2,(H,21,23)
InChIKeyDQUKHDSUNRIUIS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.88
Rot. Bonds9

About 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide

2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide (PubChem CID 4317247) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide
PubChem CID4317247
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C18H20N4O2/c1-3-10-22(11-4-2)14-17(23)21-15-6-5-7-16(12-15)24-18-13-19-8-9-20-18/h3-9,12-13H,1-2,10-11,14H2,(H,21,23)
InChIKeyDQUKHDSUNRIUIS-UHFFFAOYSA-N
XLogP2.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide (CID 4317247) is 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide is C=CCN(CC=C)CC(=O)Nc1cccc(Oc2cnccn2)c1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide?
The InChIKey is DQUKHDSUNRIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-10-22(11-4-2)14-17(23)21-15-6-5-7-16(12-15)24-18-13-19-8-9-20-18/h3-9,12-13H,1-2,10-11,14H2,(H,21,23).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-(3-pyrazin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 4317247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).