N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

C16H23FN2O3 — CID 129447287

IUPACN-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1C[C@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O3/c1-2-22-7-6-18-16(21)11-19-10-14(20)9-15(19)12-4-3-5-13(17)8-12/h3-5,8,14-15,20H,2,6-7,9-11H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyFNXFELYTYCKSGS-CABCVRRESA-N
MW310.37 g/mol
LogP1.09
Rot. Bonds7

About N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 129447287) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
PubChem CID129447287
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1C[C@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O3/c1-2-22-7-6-18-16(21)11-19-10-14(20)9-15(19)12-4-3-5-13(17)8-12/h3-5,8,14-15,20H,2,6-7,9-11H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyFNXFELYTYCKSGS-CABCVRRESA-N
XLogP1.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (CID 129447287) is N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is CCOCCNC(=O)CN1C[C@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is FNXFELYTYCKSGS-CABCVRRESA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-22-7-6-18-16(21)11-19-10-14(20)9-15(19)12-4-3-5-13(17)8-12/h3-5,8,14-15,20H,2,6-7,9-11H2,1H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 310.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129447287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).