3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide

C16H21F2NO2 — CID 70910545

IUPAC3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2NO2/c1-2-19-16(20)15(8-11-4-3-5-11)21-10-12-6-13(17)9-14(18)7-12/h6-7,9,11,15H,2-5,8,10H2,1H3,(H,19,20)
InChIKeyCNTGUDSYJMKMFQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.18
Rot. Bonds7

About 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide

3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide (PubChem CID 70910545) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
PubChem CID70910545
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Name3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2NO2/c1-2-19-16(20)15(8-11-4-3-5-11)21-10-12-6-13(17)9-14(18)7-12/h6-7,9,11,15H,2-5,8,10H2,1H3,(H,19,20)
InChIKeyCNTGUDSYJMKMFQ-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
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[2-(Cyclohexylmethylamino)-2-oxoethyl] 4-fluorobenzoate
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[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
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N-cyclopropyl-2-methoxy-2-phenylacetamide
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CID 2554766

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
The IUPAC name of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide (CID 70910545) is 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
The canonical SMILES for 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide is CCNC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.
What is the InChIKey of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
The InChIKey is CNTGUDSYJMKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-2-19-16(20)15(8-11-4-3-5-11)21-10-12-6-13(17)9-14(18)7-12/h6-7,9,11,15H,2-5,8,10H2,1H3,(H,19,20).
What are the key properties of 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide?
3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide has a molecular weight of 297.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide is sourced from PubChem (CID 70910545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).