3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide

C11H20F2N2O2 — CID 114226519

IUPAC3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
SMILESCOCCNCCNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-17-7-6-14-4-5-15-10(16)9-2-3-11(12,13)8-9/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyLPEHAXQNIWFBMG-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.77
Rot. Bonds7

About 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide

3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 114226519) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID114226519
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
SMILESCOCCNCCNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-17-7-6-14-4-5-15-10(16)9-2-3-11(12,13)8-9/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyLPEHAXQNIWFBMG-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 82994785
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82993999
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
CID 129348874
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide (CID 114226519) is 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide is COCCNCCNC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is LPEHAXQNIWFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-17-7-6-14-4-5-15-10(16)9-2-3-11(12,13)8-9/h9,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114226519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).