trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide

C16H23FN2O2 — CID 99849846

IUPACtrans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]1N
InChIInChI=1S/C16H23FN2O2/c1-19(16(20)14-4-2-5-15(14)18)10-3-11-21-13-8-6-12(17)7-9-13/h6-9,14-15H,2-5,10-11,18H2,1H3/t14-,15-/m0/s1
InChIKeyAKDUUJGVBXYPHW-GJZGRUSLSA-N
MW294.37 g/mol
LogP2.18
Rot. Bonds6

About trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide

trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 99849846) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
PubChem CID99849846
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametrans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]1N
InChIInChI=1S/C16H23FN2O2/c1-19(16(20)14-4-2-5-15(14)18)10-3-11-21-13-8-6-12(17)7-9-13/h6-9,14-15H,2-5,10-11,18H2,1H3/t14-,15-/m0/s1
InChIKeyAKDUUJGVBXYPHW-GJZGRUSLSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide (CID 99849846) is trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide is CN(CCCOc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is AKDUUJGVBXYPHW-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19(16(20)14-4-2-5-15(14)18)10-3-11-21-13-8-6-12(17)7-9-13/h6-9,14-15H,2-5,10-11,18H2,1H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide?
trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 99849846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).