2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide

C14H19FN2O2 — CID 106401479

IUPAC2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide
SMILESC=CCCOCCNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-2-3-8-19-9-7-16-11-14(18)17-13-6-4-5-12(15)10-13/h2,4-6,10,16H,1,3,7-9,11H2,(H,17,18)
InChIKeyDFDGFOCVQLTZLO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.95
Rot. Bonds9

About 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide

2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide (PubChem CID 106401479) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide
PubChem CID106401479
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide
SMILESC=CCCOCCNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-2-3-8-19-9-7-16-11-14(18)17-13-6-4-5-12(15)10-13/h2,4-6,10,16H,1,3,7-9,11H2,(H,17,18)
InChIKeyDFDGFOCVQLTZLO-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 114187533
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
CID 106046896
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
CID 47078342
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide (CID 106401479) is 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide is C=CCCOCCNCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide?
The InChIKey is DFDGFOCVQLTZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-3-8-19-9-7-16-11-14(18)17-13-6-4-5-12(15)10-13/h2,4-6,10,16H,1,3,7-9,11H2,(H,17,18).
What are the key properties of 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide?
2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 106401479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).