2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide

C14H20FN3O3 — CID 91626367

IUPAC2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCCOCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O3/c1-2-20-9-13(19)18-11-3-5-12(6-4-11)21-14-16-7-10(15)8-17-14/h7-8,11-12H,2-6,9H2,1H3,(H,18,19)
InChIKeyBNCGJHROMOKARI-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.46
Rot. Bonds6

About 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide

2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 91626367) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID91626367
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCCOCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O3/c1-2-20-9-13(19)18-11-3-5-12(6-4-11)21-14-16-7-10(15)8-17-14/h7-8,11-12H,2-6,9H2,1H3,(H,18,19)
InChIKeyBNCGJHROMOKARI-UHFFFAOYSA-N
XLogP1.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
CID 91626361
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129354368

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (CID 91626367) is 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is CCOCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is BNCGJHROMOKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-2-20-9-13(19)18-11-3-5-12(6-4-11)21-14-16-7-10(15)8-17-14/h7-8,11-12H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 91626367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).