(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide

C16H23FN2O3 — CID 126429890

IUPAC(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCCOC[C@@H]1CCCN1C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3/c1-2-21-12-14-4-3-10-19(14)16(20)18-9-11-22-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyVIXSSYGUGFGMBT-AWEZNQCLSA-N
MW310.37 g/mol
LogP2.41
Rot. Bonds7

About (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide

(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide (PubChem CID 126429890) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide
PubChem CID126429890
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESCCOC[C@@H]1CCCN1C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3/c1-2-21-12-14-4-3-10-19(14)16(20)18-9-11-22-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyVIXSSYGUGFGMBT-AWEZNQCLSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.41
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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Related Compounds

(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 97186286
2-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidine-1-carboxamide
CID 112970222
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085
(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
CID 138053708
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 122570060
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112975668
4-(4-fluorophenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 66261072
(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 124623151
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112977193
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide (CID 126429890) is (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide is CCOC[C@@H]1CCCN1C(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is VIXSSYGUGFGMBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-21-12-14-4-3-10-19(14)16(20)18-9-11-22-15-7-5-13(17)6-8-15/h5-8,14H,2-4,9-12H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126429890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).